5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine

C15H17N5S — CID 82528696

IUPAC5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1ccccc1-n1ncc(-c2nnc(NC)s2)c1C
InChIInChI=1S/C15H17N5S/c1-4-11-7-5-6-8-13(11)20-10(2)12(9-17-20)14-18-19-15(16-3)21-14/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyVXCCDRAJCAZUKA-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.30
Rot. Bonds4

About 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82528696) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82528696
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1ccccc1-n1ncc(-c2nnc(NC)s2)c1C
InChIInChI=1S/C15H17N5S/c1-4-11-7-5-6-8-13(11)20-10(2)12(9-17-20)14-18-19-15(16-3)21-14/h5-9H,4H2,1-3H3,(H,16,19)
InChIKeyVXCCDRAJCAZUKA-UHFFFAOYSA-N
XLogP3.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-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

N-methyl-5-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528778
N-ethyl-5-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528402
5-[1-(2,6-dimethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82528496
4-(chloromethyl)-1-(2-ethylphenyl)-5-methylpyrazole
CID 82528707
N-ethyl-5-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528380
4-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3-thiazol-2-amine
CID 82528304
1-(2-ethylphenyl)-4,5-dimethyltriazole
CID 58328350
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
5-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528550
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
1-[1-(2-ethylphenyl)-5-methyltriazol-4-yl]ethanone
CID 43671062
6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460149

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 82528696) is 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is CCc1ccccc1-n1ncc(-c2nnc(NC)s2)c1C.
What is the InChIKey of 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VXCCDRAJCAZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-4-11-7-5-6-8-13(11)20-10(2)12(9-17-20)14-18-19-15(16-3)21-14/h5-9H,4H2,1-3H3,(H,16,19).
What are the key properties of 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82528696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).