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

C10H10ClN3S — CID 3039977

IUPAC5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3S/c1-14(2)10-13-12-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyROLSQRRRNVVMTF-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.92
Rot. Bonds2

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

5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 3039977) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID3039977
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3S/c1-14(2)10-13-12-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyROLSQRRRNVVMTF-UHFFFAOYSA-N
XLogP2.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-N,N-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 3039977) is 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ROLSQRRRNVVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-14(2)10-13-12-9(15-10)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.73 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3039977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).