ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

C13H12ClN3O3S — CID 2466542

IUPACethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C13H12ClN3O3S/c1-2-20-11(18)5-9-7-21-13(16-9)17-12(19)8-3-4-10(14)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,16,17,19)
InChIKeyUSQILVRCRJDPPT-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.55
Rot. Bonds5

About ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2466542) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID2466542
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Nameethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)nc2)n1
InChIInChI=1S/C13H12ClN3O3S/c1-2-20-11(18)5-9-7-21-13(16-9)17-12(19)8-3-4-10(14)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,16,17,19)
InChIKeyUSQILVRCRJDPPT-UHFFFAOYSA-N
XLogP2.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
Methyl 2-(isonicotinoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 887876
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2102471
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
CID 719362
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
4-chloro-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3462248
3-Chloro-N-(4-pyridin-2-yl-thiazol-2-yl)-benzamide
CID 3534313
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)nicotinamide
CID 840220
6-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2082452
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 4121373
N-(4-tert-butyl-1,3-thiazol-2-yl)nicotinamide
CID 697160

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate (CID 2466542) is ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)nc2)n1.
What is the InChIKey of ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is USQILVRCRJDPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-2-20-11(18)5-9-7-21-13(16-9)17-12(19)8-3-4-10(14)15-6-8/h3-4,6-7H,2,5H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 325.78 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(6-chloropyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2466542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).