N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine

C13H18N4S — CID 133320829

IUPACN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine
SMILESCc1nsc(N(C)CCN(C)c2ccccc2)n1
InChIInChI=1S/C13H18N4S/c1-11-14-13(18-15-11)17(3)10-9-16(2)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKeyZDRPDFRCDOPVBC-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.42
Rot. Bonds5

About N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine

N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine (PubChem CID 133320829) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine
PubChem CID133320829
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine
SMILESCc1nsc(N(C)CCN(C)c2ccccc2)n1
InChIInChI=1S/C13H18N4S/c1-11-14-13(18-15-11)17(3)10-9-16(2)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
InChIKeyZDRPDFRCDOPVBC-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine 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,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine (CID 133320829) is N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine is Cc1nsc(N(C)CCN(C)c2ccccc2)n1.
What is the InChIKey of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine?
The InChIKey is ZDRPDFRCDOPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-11-14-13(18-15-11)17(3)10-9-16(2)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine?
N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine has a molecular weight of 262.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)-N-phenylethane-1,2-diamine is sourced from PubChem (CID 133320829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).