N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C16H14F2N4OS — CID 56788116

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C16H14F2N4OS/c1-21(8-10-3-4-12(17)13(18)5-10)16(23)14-7-19-15(24-14)11-6-20-22(2)9-11/h3-7,9H,8H2,1-2H3
InChIKeyGKVYMNWJBHXKJL-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.09
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 56788116) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID56788116
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C16H14F2N4OS/c1-21(8-10-3-4-12(17)13(18)5-10)16(23)14-7-19-15(24-14)11-6-20-22(2)9-11/h3-7,9H,8H2,1-2H3
InChIKeyGKVYMNWJBHXKJL-UHFFFAOYSA-N
XLogP3.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 56788116) is N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)c1cnc(-c2cnn(C)c2)s1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is GKVYMNWJBHXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-21(8-10-3-4-12(17)13(18)5-10)16(23)14-7-19-15(24-14)11-6-20-22(2)9-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56788116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).