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

C11H11BrF2N4OS — CID 4771470

IUPAC2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c(C(F)F)nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C11H11BrF2N4OS/c1-5-7(12)8(9(13)14)17-18(5)6(2)10(19)16-11-15-3-4-20-11/h3-4,6,9H,1-2H3,(H,15,16,19)
InChIKeyKEAKOSSCLCHOJQ-UHFFFAOYSA-N
MW365.20 g/mol
LogP3.55
Rot. Bonds4

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

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4771470) has the molecular formula C11H11BrF2N4OS and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4771470
Molecular FormulaC11H11BrF2N4OS
Molecular Weight365.20 g/mol
Exact Mass363.98
IUPAC Name2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c(C(F)F)nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C11H11BrF2N4OS/c1-5-7(12)8(9(13)14)17-18(5)6(2)10(19)16-11-15-3-4-20-11/h3-4,6,9H,1-2H3,(H,15,16,19)
InChIKeyKEAKOSSCLCHOJQ-UHFFFAOYSA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 4771470) is 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1c(Br)c(C(F)F)nn1C(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is KEAKOSSCLCHOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N4OS/c1-5-7(12)8(9(13)14)17-18(5)6(2)10(19)16-11-15-3-4-20-11/h3-4,6,9H,1-2H3,(H,15,16,19).
What are the key properties of 2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 365.20 g/mol, XLogP of 3.55, 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-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4771470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).