[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate

C11H8ClN3O4S — CID 69365456

IUPAC[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate
SMILESCc1nc(C(=O)Nc2ccc(Cl)cn2)c(OC(=O)O)s1
InChIInChI=1S/C11H8ClN3O4S/c1-5-14-8(10(20-5)19-11(17)18)9(16)15-7-3-2-6(12)4-13-7/h2-4H,1H3,(H,17,18)(H,13,15,16)
InChIKeyQAYPYTVXGULFSX-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.81
Rot. Bonds3

About [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate

[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate (PubChem CID 69365456) has the molecular formula C11H8ClN3O4S and a molecular weight of 313.72 g/mol. Its IUPAC name is [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate
PubChem CID69365456
Molecular FormulaC11H8ClN3O4S
Molecular Weight313.72 g/mol
Exact Mass312.99
IUPAC Name[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate
SMILESCc1nc(C(=O)Nc2ccc(Cl)cn2)c(OC(=O)O)s1
InChIInChI=1S/C11H8ClN3O4S/c1-5-14-8(10(20-5)19-11(17)18)9(16)15-7-3-2-6(12)4-13-7/h2-4H,1H3,(H,17,18)(H,13,15,16)
InChIKeyQAYPYTVXGULFSX-UHFFFAOYSA-N
XLogP2.81
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)-2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 70070487
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-1H-pyrazole-4-carboxamide
CID 43583033
N-(5-chloro-2-pyridinyl)-3-ethoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780056
methyl N-[4-[[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazole-5-carbonyl]amino]phenyl]-N-ethylcarbamimidate
CID 143235526
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate?
The IUPAC name of [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate (CID 69365456) is [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate?
The canonical SMILES for [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate is Cc1nc(C(=O)Nc2ccc(Cl)cn2)c(OC(=O)O)s1.
What is the InChIKey of [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate?
The InChIKey is QAYPYTVXGULFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S/c1-5-14-8(10(20-5)19-11(17)18)9(16)15-7-3-2-6(12)4-13-7/h2-4H,1H3,(H,17,18)(H,13,15,16).
What are the key properties of [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate?
[4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate has a molecular weight of 313.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-pyridinyl)carbamoyl]-2-methyl-1,3-thiazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 69365456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).