N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C13H11F3N6S — CID 90892461

IUPACN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1
InChIInChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22)
InChIKeyANDGBIBENVSINF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.57
Rot. Bonds4

About N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 90892461) has the molecular formula C13H11F3N6S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID90892461
Molecular FormulaC13H11F3N6S
Molecular Weight340.33 g/mol
Exact Mass340.07
IUPAC NameN-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1
InChIInChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22)
InChIKeyANDGBIBENVSINF-UHFFFAOYSA-N
XLogP3.57
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(2H-tetrazol-5-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-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 90892461) is N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(c1ccc(Nc2nc(C(F)(F)F)cs2)cc1)c1nn[nH]n1.
What is the InChIKey of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ANDGBIBENVSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6S/c1-7(11-19-21-22-20-11)8-2-4-9(5-3-8)17-12-18-10(6-23-12)13(14,15)16/h2-7H,1H3,(H,17,18)(H,19,20,21,22).
What are the key properties of N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 340.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2H-tetrazol-5-yl)ethyl]phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90892461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).