2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C15H12F2N4OS — CID 144595356

IUPAC2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3)cs2)c1F
InChIInChI=1S/C15H12F2N4OS/c1-8-3-4-10(16)12(13(8)17)15-20-11(7-23-15)14(22)19-9-5-18-21(2)6-9/h3-7H,1-2H3,(H,19,22)
InChIKeyOVSJBPIMQVZDSM-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 144595356) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID144595356
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3)cs2)c1F
InChIInChI=1S/C15H12F2N4OS/c1-8-3-4-10(16)12(13(8)17)15-20-11(7-23-15)14(22)19-9-5-18-21(2)6-9/h3-7H,1-2H3,(H,19,22)
InChIKeyOVSJBPIMQVZDSM-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 144595356) is 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1ccc(F)c(-c2nc(C(=O)Nc3cnn(C)c3)cs2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OVSJBPIMQVZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c1-8-3-4-10(16)12(13(8)17)15-20-11(7-23-15)14(22)19-9-5-18-21(2)6-9/h3-7H,1-2H3,(H,19,22).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 144595356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).