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

C12H13BrF2N4OS — CID 19520179

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Br)c2C)sc1C
InChIInChI=1S/C12H13BrF2N4OS/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)
InChIKeyFRUMZMPVRXRJHU-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.60
Rot. Bonds4

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19520179) has the molecular formula C12H13BrF2N4OS and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19520179
Molecular FormulaC12H13BrF2N4OS
Molecular Weight379.23 g/mol
Exact Mass378.00
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)c(Br)c2C)sc1C
InChIInChI=1S/C12H13BrF2N4OS/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)
InChIKeyFRUMZMPVRXRJHU-UHFFFAOYSA-N
XLogP3.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 4770994
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
N-(5-bromo-1,3-thiazol-2-yl)-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 3543174
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3546802
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4770501
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4771470
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 4771535
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772943
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268392
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481148
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19516721

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19520179) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-bromo-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(Br)c2C)sc1C.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FRUMZMPVRXRJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N4OS/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-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 379.23 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19520179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).