N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C12H15F3N4S — CID 133459758

IUPACN-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)CCn1ccc(Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H15F3N4S/c1-8(2)3-5-19-6-4-10(18-19)17-11-16-9(7-20-11)12(13,14)15/h4,6-8H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyJBKSUFSUTLVLGG-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.15
Rot. Bonds5

About N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133459758) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133459758
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)CCn1ccc(Nc2nc(C(F)(F)F)cs2)n1
InChIInChI=1S/C12H15F3N4S/c1-8(2)3-5-19-6-4-10(18-19)17-11-16-9(7-20-11)12(13,14)15/h4,6-8H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyJBKSUFSUTLVLGG-UHFFFAOYSA-N
XLogP4.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine 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-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133459758) is N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)CCn1ccc(Nc2nc(C(F)(F)F)cs2)n1.
What is the InChIKey of N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JBKSUFSUTLVLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-8(2)3-5-19-6-4-10(18-19)17-11-16-9(7-20-11)12(13,14)15/h4,6-8H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 304.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)pyrazol-3-yl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133459758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).