3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C12H9Cl2N3OS — CID 32869142

IUPAC3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2N3OS/c13-7-3-4-9(14)16-10(7)11(18)17-12-15-8(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18)
InChIKeySFTCLBIWRNPGKX-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.97
Rot. Bonds3

About 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 32869142) has the molecular formula C12H9Cl2N3OS and a molecular weight of 314.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID32869142
Molecular FormulaC12H9Cl2N3OS
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(C2CC2)cs1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H9Cl2N3OS/c13-7-3-4-9(14)16-10(7)11(18)17-12-15-8(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18)
InChIKeySFTCLBIWRNPGKX-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015173
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
CID 114219527
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4,5-difluorobenzamide
CID 33301577
2-(2-chlorophenyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)acetamide
CID 32863339
5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617667
2,4-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-fluorobenzamide
CID 33302941
3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 26176305
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-[(R)-methylsulfinyl]benzamide
CID 94198052
4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 33302522
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-(diethylsulfamoyl)benzamide
CID 32865039
2-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
CID 155941439

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 32869142) is 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is O=C(Nc1nc(C2CC2)cs1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is SFTCLBIWRNPGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3OS/c13-7-3-4-9(14)16-10(7)11(18)17-12-15-8(5-19-12)6-1-2-6/h3-6H,1-2H2,(H,15,17,18).
What are the key properties of 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 314.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 32869142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).