2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C12H13ClF2N4OS — CID 19517633

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)sc1C
InChIInChI=1S/C12H13ClF2N4OS/c1-5-7(3)21-12(16-5)17-8(20)4-19-6(2)9(13)10(18-19)11(14)15/h11H,4H2,1-3H3,(H,16,17,20)
InChIKeyGXBDNWIUHYDRFX-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.49
Rot. Bonds4

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19517633) has the molecular formula C12H13ClF2N4OS and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19517633
Molecular FormulaC12H13ClF2N4OS
Molecular Weight334.78 g/mol
Exact Mass334.05
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)sc1C
InChIInChI=1S/C12H13ClF2N4OS/c1-5-7(3)21-12(16-5)17-8(20)4-19-6(2)9(13)10(18-19)11(14)15/h11H,4H2,1-3H3,(H,16,17,20)
InChIKeyGXBDNWIUHYDRFX-UHFFFAOYSA-N
XLogP3.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19517633) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)sc1C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GXBDNWIUHYDRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N4OS/c1-5-7(3)21-12(16-5)17-8(20)4-19-6(2)9(13)10(18-19)11(14)15/h11H,4H2,1-3H3,(H,16,17,20).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 334.78 g/mol, XLogP of 3.49, 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-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19517633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).