ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate

C19H18N4O3S — CID 58137754

IUPACethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1CNC(=O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-26-18(25)15-4-3-9-20-16(15)12-22-17(24)13-5-7-14(8-6-13)23-19-21-10-11-27-19/h3-11H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyFZMYLLDLGKHBJY-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.39
Rot. Bonds7

About ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate

ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate (PubChem CID 58137754) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate
PubChem CID58137754
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Nameethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1CNC(=O)c1ccc(Nc2nccs2)cc1
InChIInChI=1S/C19H18N4O3S/c1-2-26-18(25)15-4-3-9-20-16(15)12-22-17(24)13-5-7-14(8-6-13)23-19-21-10-11-27-19/h3-11H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyFZMYLLDLGKHBJY-UHFFFAOYSA-N
XLogP3.39
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 4784466
Ethyl 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxylate
CID 134138693
2-(2-Benzamido-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 127031758
Benzoic acid, 4-[[4-(2-pyridinyl)-2-thiazolyl]amino]-
CID 704429
N-Benzyl-4-methyl-2-(2-oxo-4-(pyridin-3-ylmethoxy)pyridin-1(2H)-yl)thiazole-5-carboxamide
CID 24985612
Ethyl 2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyridine-3-carboxylate
CID 2374963
Ethyl 4,5,6-trimethyl-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylpyridine-3-carboxylate
CID 2958562
Ethyl 5-(4-fluorophenyl)-2-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrole-3-carboxylate
CID 5061566
Methyl 4-({5-oxo-6-[(thiophen-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-7-YL}amino)benzoate
CID 16193884
6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-benzyl-N-methylpyridine-3-carboxamide
CID 46943943
6-[[4-(1-amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 49792278
1-[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl]propyl pyridine-3-carboxylate
CID 14140565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate (CID 58137754) is ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate is CCOC(=O)c1cccnc1CNC(=O)c1ccc(Nc2nccs2)cc1.
What is the InChIKey of ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate?
The InChIKey is FZMYLLDLGKHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-2-26-18(25)15-4-3-9-20-16(15)12-22-17(24)13-5-7-14(8-6-13)23-19-21-10-11-27-19/h3-11H,2,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate?
ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 382.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[4-(1,3-thiazol-2-ylamino)benzoyl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 58137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).