2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide

C16H13ClF2N4OS — CID 55811361

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)c1Cl
InChIInChI=1S/C16H13ClF2N4OS/c1-8-15(17)9(2)23(22-8)6-14(24)21-16-20-13(7-25-16)11-5-10(18)3-4-12(11)19/h3-5,7H,6H2,1-2H3,(H,20,21,24)
InChIKeyJDYUZWJGQOOQBM-UHFFFAOYSA-N
MW382.82 g/mol
LogP4.19
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 55811361) has the molecular formula C16H13ClF2N4OS and a molecular weight of 382.82 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID55811361
Molecular FormulaC16H13ClF2N4OS
Molecular Weight382.82 g/mol
Exact Mass382.05
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)c1Cl
InChIInChI=1S/C16H13ClF2N4OS/c1-8-15(17)9(2)23(22-8)6-14(24)21-16-20-13(7-25-16)11-5-10(18)3-4-12(11)19/h3-5,7H,6H2,1-2H3,(H,20,21,24)
InChIKeyJDYUZWJGQOOQBM-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26207748
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43042841
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866667
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 27831989
2-(4-acetamidophenyl)sulfanyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 34518213
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5302441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 55811361) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1nn(CC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JDYUZWJGQOOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4OS/c1-8-15(17)9(2)23(22-8)6-14(24)21-16-20-13(7-25-16)11-5-10(18)3-4-12(11)19/h3-5,7H,6H2,1-2H3,(H,20,21,24).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 382.82 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 55811361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).