5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride

C78H100BrCl6CuN21O11S5 — CID 159769386

IUPAC5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride
SMILESC.C.C.C.C.C.C.CC(=O)N1CCNCC1.CC(C)(C)C(=O)Nc1ncc(-c2cncc(C(N)=O)c2)s1.CC(C)(C)C(=O)Nc1nccs1.Cl[Cu]Cl.NC(=O)c1cncc(Br)c1.Nc1cc(Cl)ccn1.Nc1ncc(-c2c[nH+]cc(C(=O)O)c2)s1.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3cc(Cl)ccn3)s2)c1.[Cl-]
InChIInChI=1S/C14H9ClN4O2S.C14H16N4O2S.C9H5ClN2O2S.C9H7N3O2S.C8H12N2OS.C6H5BrN2O.C6H12N2O.C5H5ClN2.7CH4.3ClH.Cu/c15-10-1-2-17-12(4-10)19-14-18-7-11(22-14)8-3-9(13(20)21)6-16-5-8;1-14(2,3)12(20)18-13-17-7-10(21-13)8-4-9(11(15)19)6-16-5-8;2*10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;1-8(2,3)6(11)10-7-9-4-5-12-7;7-5-1-4(6(8)10)2-9-3-5;1-6(9)8-4-2-7-3-5-8;6-4-1-2-8-5(7)3-4;;;;;;;;;;;/h1-7H,(H,20,21)(H,17,18,19);4-7H,1-3H3,(H2,15,19)(H,17,18,20);1-4H,(H,13,14);1-4H,(H2,10,12)(H,13,14);4-5H,1-3H3,(H,9,10,11);1-3H,(H2,8,10);7H,2-5H2,1H3;1-3H,(H2,7,8);7*1H4;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2
InChIKeyBRJYZEGZHQEZMG-UHFFFAOYSA-L
MW2024.30 g/mol
LogP16.10
Rot. Bonds13

About 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride

5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride (PubChem CID 159769386) has the molecular formula C78H100BrCl6CuN21O11S5 and a molecular weight of 2024.30 g/mol. Its IUPAC name is 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride.

Molecular Properties

Compound Name5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride
PubChem CID159769386
Molecular FormulaC78H100BrCl6CuN21O11S5
Molecular Weight2024.30 g/mol
Exact Mass2018.31
IUPAC Name5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride
SMILESC.C.C.C.C.C.C.CC(=O)N1CCNCC1.CC(C)(C)C(=O)Nc1ncc(-c2cncc(C(N)=O)c2)s1.CC(C)(C)C(=O)Nc1nccs1.Cl[Cu]Cl.NC(=O)c1cncc(Br)c1.Nc1cc(Cl)ccn1.Nc1ncc(-c2c[nH+]cc(C(=O)O)c2)s1.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3cc(Cl)ccn3)s2)c1.[Cl-]
InChIInChI=1S/C14H9ClN4O2S.C14H16N4O2S.C9H5ClN2O2S.C9H7N3O2S.C8H12N2OS.C6H5BrN2O.C6H12N2O.C5H5ClN2.7CH4.3ClH.Cu/c15-10-1-2-17-12(4-10)19-14-18-7-11(22-14)8-3-9(13(20)21)6-16-5-8;1-14(2,3)12(20)18-13-17-7-10(21-13)8-4-9(11(15)19)6-16-5-8;2*10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;1-8(2,3)6(11)10-7-9-4-5-12-7;7-5-1-4(6(8)10)2-9-3-5;1-6(9)8-4-2-7-3-5-8;6-4-1-2-8-5(7)3-4;;;;;;;;;;;/h1-7H,(H,20,21)(H,17,18,19);4-7H,1-3H3,(H2,15,19)(H,17,18,20);1-4H,(H,13,14);1-4H,(H2,10,12)(H,13,14);4-5H,1-3H3,(H,9,10,11);1-3H,(H2,8,10);7H,2-5H2,1H3;1-3H,(H2,7,8);7*1H4;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2
InChIKeyBRJYZEGZHQEZMG-UHFFFAOYSA-L
XLogP16.10
TPSA508.62 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.30
LogP ≤ 516.10
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride?
The IUPAC name of 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride (CID 159769386) is 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride.
What is the SMILES notation for 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride?
The canonical SMILES for 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride is C.C.C.C.C.C.C.CC(=O)N1CCNCC1.CC(C)(C)C(=O)Nc1ncc(-c2cncc(C(N)=O)c2)s1.CC(C)(C)C(=O)Nc1nccs1.Cl[Cu]Cl.NC(=O)c1cncc(Br)c1.Nc1cc(Cl)ccn1.Nc1ncc(-c2c[nH+]cc(C(=O)O)c2)s1.O=C(O)c1cncc(-c2cnc(Cl)s2)c1.O=C(O)c1cncc(-c2cnc(Nc3cc(Cl)ccn3)s2)c1.[Cl-].
What is the InChIKey of 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride?
The InChIKey is BRJYZEGZHQEZMG-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H9ClN4O2S.C14H16N4O2S.C9H5ClN2O2S.C9H7N3O2S.C8H12N2OS.C6H5BrN2O.C6H12N2O.C5H5ClN2.7CH4.3ClH.Cu/c15-10-1-2-17-12(4-10)19-14-18-7-11(22-14)8-3-9(13(20)21)6-16-5-8;1-14(2,3)12(20)18-13-17-7-10(21-13)8-4-9(11(15)19)6-16-5-8;2*10-9-12-4-7(15-9)5-1-6(8(13)14)3-11-2-5;1-8(2,3)6(11)10-7-9-4-5-12-7;7-5-1-4(6(8)10)2-9-3-5;1-6(9)8-4-2-7-3-5-8;6-4-1-2-8-5(7)3-4;;;;;;;;;;;/h1-7H,(H,20,21)(H,17,18,19);4-7H,1-3H3,(H2,15,19)(H,17,18,20);1-4H,(H,13,14);1-4H,(H2,10,12)(H,13,14);4-5H,1-3H3,(H,9,10,11);1-3H,(H2,8,10);7H,2-5H2,1H3;1-3H,(H2,7,8);7*1H4;3*1H;/q;;;;;;;;;;;;;;;;;;+2/p-2.
What are the key properties of 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride?
5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride has a molecular weight of 2024.30 g/mol, XLogP of 16.10, 13 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-thiazol-5-yl)pyridin-1-ium-3-carboxylic acid;5-bromopyridine-3-carboxamide;4-chloropyridin-2-amine;5-[2-[(4-chloro-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxylic acid;5-(2-chloro-1,3-thiazol-5-yl)pyridine-3-carboxylic acid;dichlorocopper;5-[2-(2,2-dimethylpropanoylamino)-1,3-thiazol-5-yl]pyridine-3-carboxamide;2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide;methane;1-piperazin-1-ylethanone;chloride is sourced from PubChem (CID 159769386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).