N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

C14H12F3N5S — CID 72852943

IUPACN-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2nc(C)nn2-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C14H12F3N5S/c1-8-19-12(11-7-23-13(18-2)20-11)22(21-8)10-5-3-9(4-6-10)14(15,16)17/h3-7H,1-2H3,(H,18,20)
InChIKeyVAMIPLBCEPPIKP-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.76
Rot. Bonds3

About N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 72852943) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
PubChem CID72852943
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC NameN-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2nc(C)nn2-c2ccc(C(F)(F)F)cc2)cs1
InChIInChI=1S/C14H12F3N5S/c1-8-19-12(11-7-23-13(18-2)20-11)22(21-8)10-5-3-9(4-6-10)14(15,16)17/h3-7H,1-2H3,(H,18,20)
InChIKeyVAMIPLBCEPPIKP-UHFFFAOYSA-N
XLogP3.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-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

Related Compounds

3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 131896163
4-[2-[2-amino-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 145104738
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
4-(1-methylbenzimidazol-2-yl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139972742
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
1-(4-fluorophenyl)-3-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazole
CID 50980537
methyl 5-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 56661570
5-chloro-4-methyl-3-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254924
N-methyl-4-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 86806465

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (CID 72852943) is N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is CNc1nc(-c2nc(C)nn2-c2ccc(C(F)(F)F)cc2)cs1.
What is the InChIKey of N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is VAMIPLBCEPPIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-8-19-12(11-7-23-13(18-2)20-11)22(21-8)10-5-3-9(4-6-10)14(15,16)17/h3-7H,1-2H3,(H,18,20).
What are the key properties of N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 339.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72852943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).