5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C11H12ClN3S — CID 121006251

IUPAC5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S/c1-7(2)13-11-15-14-10(16-11)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15)
InChIKeyJBTQTZPTMFAWLJ-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.68
Rot. Bonds3

About 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 121006251) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID121006251
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C11H12ClN3S/c1-7(2)13-11-15-14-10(16-11)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15)
InChIKeyJBTQTZPTMFAWLJ-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chlorophenyl)-N-propan-2-yl-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

[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
5-(3-chlorophenyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 91620777
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112812660
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 44553774
5-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 68801294
N-[1-(3-chlorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982748
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537951
N-[(2R,3S)-1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 7297670

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 121006251) is 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is JBTQTZPTMFAWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(2)13-11-15-14-10(16-11)8-4-3-5-9(12)6-8/h3-7H,1-2H3,(H,13,15).
What are the key properties of 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 253.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 121006251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).