N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide

C12H11Br2F3N4OS — CID 118118834

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide
SMILESCCCC(C(=O)Nc1ncc(Br)s1)n1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C12H11Br2F3N4OS/c1-2-3-7(10(22)19-11-18-4-8(14)23-11)21-5-6(13)9(20-21)12(15,16)17/h4-5,7H,2-3H2,1H3,(H,18,19,22)
InChIKeySHBVTEKWFAJUPQ-UHFFFAOYSA-N
MW476.12 g/mol
LogP4.86
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide

N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide (PubChem CID 118118834) has the molecular formula C12H11Br2F3N4OS and a molecular weight of 476.12 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide
PubChem CID118118834
Molecular FormulaC12H11Br2F3N4OS
Molecular Weight476.12 g/mol
Exact Mass473.90
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide
SMILESCCCC(C(=O)Nc1ncc(Br)s1)n1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C12H11Br2F3N4OS/c1-2-3-7(10(22)19-11-18-4-8(14)23-11)21-5-6(13)9(20-21)12(15,16)17/h4-5,7H,2-3H2,1H3,(H,18,19,22)
InChIKeySHBVTEKWFAJUPQ-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide (CID 118118834) is N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide is CCCC(C(=O)Nc1ncc(Br)s1)n1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide?
The InChIKey is SHBVTEKWFAJUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2F3N4OS/c1-2-3-7(10(22)19-11-18-4-8(14)23-11)21-5-6(13)9(20-21)12(15,16)17/h4-5,7H,2-3H2,1H3,(H,18,19,22).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide has a molecular weight of 476.12 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]pentanamide is sourced from PubChem (CID 118118834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).