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

C14H12F3N5S — CID 91311697

IUPACN-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cn[nH]n1
InChIInChI=1S/C14H12F3N5S/c1-8(11-6-18-22-21-11)9-2-4-10(5-3-9)19-13-20-12(7-23-13)14(15,16)17/h2-8H,1H3,(H,19,20)(H,18,21,22)
InChIKeyNYHWRPLPOOLDNP-UHFFFAOYSA-N
MW339.35 g/mol
LogP4.18
Rot. Bonds4

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

N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 91311697) has the molecular formula C14H12F3N5S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID91311697
Molecular FormulaC14H12F3N5S
Molecular Weight339.35 g/mol
Exact Mass339.08
IUPAC NameN-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cn[nH]n1
InChIInChI=1S/C14H12F3N5S/c1-8(11-6-18-22-21-11)9-2-4-10(5-3-9)19-13-20-12(7-23-13)14(15,16)17/h2-8H,1H3,(H,19,20)(H,18,21,22)
InChIKeyNYHWRPLPOOLDNP-UHFFFAOYSA-N
XLogP4.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-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-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 91311697) is N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1cn[nH]n1.
What is the InChIKey of N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is NYHWRPLPOOLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5S/c1-8(11-6-18-22-21-11)9-2-4-10(5-3-9)19-13-20-12(7-23-13)14(15,16)17/h2-8H,1H3,(H,19,20)(H,18,21,22).
What are the key properties of N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 339.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2H-triazol-4-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 91311697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).