N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide

C14H13F3N6OS — CID 165130074

IUPACN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cnn(F)c3)n2)c(C(F)F)n1
InChIInChI=1S/C14H13F3N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(24)10-6-25-14(20-10)8-3-18-23(17)4-8/h3-7,12H,1-2H3,(H,19,24)
InChIKeySICHIMUJFSNFGR-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.71
Rot. Bonds5

About N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165130074) has the molecular formula C14H13F3N6OS and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165130074
Molecular FormulaC14H13F3N6OS
Molecular Weight370.36 g/mol
Exact Mass370.08
IUPAC NameN-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)n1cc(NC(=O)c2csc(-c3cnn(F)c3)n2)c(C(F)F)n1
InChIInChI=1S/C14H13F3N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(24)10-6-25-14(20-10)8-3-18-23(17)4-8/h3-7,12H,1-2H3,(H,19,24)
InChIKeySICHIMUJFSNFGR-UHFFFAOYSA-N
XLogP3.71
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide 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-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165130074) is N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)n1cc(NC(=O)c2csc(-c3cnn(F)c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SICHIMUJFSNFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6OS/c1-7(2)22-5-9(11(21-22)12(15)16)19-13(24)10-6-25-14(20-10)8-3-18-23(17)4-8/h3-7,12H,1-2H3,(H,19,24).
What are the key properties of N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-propan-2-ylpyrazol-4-yl]-2-(1-fluoropyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165130074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).