6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C17H11ClN4O2S — CID 151692836

IUPAC6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc(Cl)nc2)sc1C#N
InChIInChI=1S/C17H11ClN4O2S/c1-24-12-5-3-2-4-11(12)15-13(8-19)25-17(21-15)22-16(23)10-6-7-14(18)20-9-10/h2-7,9H,1H3,(H,21,22,23)
InChIKeyRCYCCIWIGRDCSO-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.99
Rot. Bonds4

About 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 151692836) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID151692836
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Name6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1nc(NC(=O)c2ccc(Cl)nc2)sc1C#N
InChIInChI=1S/C17H11ClN4O2S/c1-24-12-5-3-2-4-11(12)15-13(8-19)25-17(21-15)22-16(23)10-6-7-14(18)20-9-10/h2-7,9H,1H3,(H,21,22,23)
InChIKeyRCYCCIWIGRDCSO-UHFFFAOYSA-N
XLogP3.99
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.99
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

methyl 1-[5-[[5-cyano-4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
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CID 61248726
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CID 168984835
6-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 151692836) is 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is COc1ccccc1-c1nc(NC(=O)c2ccc(Cl)nc2)sc1C#N.
What is the InChIKey of 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is RCYCCIWIGRDCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c1-24-12-5-3-2-4-11(12)15-13(8-19)25-17(21-15)22-16(23)10-6-7-14(18)20-9-10/h2-7,9H,1H3,(H,21,22,23).
What are the key properties of 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-cyano-4-(2-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 151692836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).