4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole

C18H17N5S — CID 172790149

IUPAC4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole
SMILESCc1ncsc1C.c1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H10N4.C5H7NS/c1-3-7-11(8-4-1)13-14-16-17(15-13)12-9-5-2-6-10-12;1-4-5(2)7-3-6-4/h1-10H;3H,1-2H3
InChIKeyPLNGYBVTZNEMHE-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.09
Rot. Bonds2

About 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole

4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole (PubChem CID 172790149) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole
PubChem CID172790149
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole
SMILESCc1ncsc1C.c1ccc(-c2nnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C13H10N4.C5H7NS/c1-3-7-11(8-4-1)13-14-16-17(15-13)12-9-5-2-6-10-12;1-4-5(2)7-3-6-4/h1-10H;3H,1-2H3
InChIKeyPLNGYBVTZNEMHE-UHFFFAOYSA-N
XLogP4.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole 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

5-(4-bromophenyl)-2-phenyltetrazole
CID 11370072
1-[4-(5-phenyltetrazol-2-yl)phenyl]ethanol
CID 43506228
3-(5-phenyltetrazol-2-yl)benzoic acid
CID 63941692
(1R)-1-[5-(5-phenyltetrazol-2-yl)-2-pyridinyl]ethanol
CID 83131929
2-(2,3-dimethylphenyl)-5-phenyltetrazole
CID 54119212
5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241
N-[[3-(5-phenyltetrazol-2-yl)phenyl]methyl]ethanamine
CID 63943078
[1,3-dimethyl-5-(5-phenyltetrazol-2-yl)pyrazol-4-yl]methanamine
CID 28965388
2-(2-ethylphenyl)-5-phenyltetrazole
CID 23606527
N-methyl-1-[4-methyl-2-(5-phenyltetrazol-2-yl)pyrimidin-5-yl]methanamine
CID 83185235
5-methyl-6-(5-phenyltetrazol-2-yl)pyridine-3-carbaldehyde
CID 80631830
[2-(5-phenyltetrazol-2-yl)-4-pyridinyl]methanamine
CID 62293246

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole?
The IUPAC name of 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole (CID 172790149) is 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole.
What is the SMILES notation for 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole?
The canonical SMILES for 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole is Cc1ncsc1C.c1ccc(-c2nnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole?
The InChIKey is PLNGYBVTZNEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4.C5H7NS/c1-3-7-11(8-4-1)13-14-16-17(15-13)12-9-5-2-6-10-12;1-4-5(2)7-3-6-4/h1-10H;3H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole?
4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole has a molecular weight of 335.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-thiazole;2,5-diphenyltetrazole is sourced from PubChem (CID 172790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).