2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C18H12ClN5OS — CID 38760327

IUPAC2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H12ClN5OS/c19-13-6-4-12(5-7-13)18-23-15(11-26-18)17(25)22-14-3-1-8-20-16(14)24-10-2-9-21-24/h1-11H,(H,22,25)
InChIKeyDEVXILCNUQJAFN-UHFFFAOYSA-N
MW381.85 g/mol
LogP4.30
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 38760327) has the molecular formula C18H12ClN5OS and a molecular weight of 381.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID38760327
Molecular FormulaC18H12ClN5OS
Molecular Weight381.85 g/mol
Exact Mass381.05
IUPAC Name2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H12ClN5OS/c19-13-6-4-12(5-7-13)18-23-15(11-26-18)17(25)22-14-3-1-8-20-16(14)24-10-2-9-21-24/h1-11H,(H,22,25)
InChIKeyDEVXILCNUQJAFN-UHFFFAOYSA-N
XLogP4.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 38760327) is 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cccnc1-n1cccn1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DEVXILCNUQJAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5OS/c19-13-6-4-12(5-7-13)18-23-15(11-26-18)17(25)22-14-3-1-8-20-16(14)24-10-2-9-21-24/h1-11H,(H,22,25).
What are the key properties of 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 381.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38760327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).