1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine

C12H13Cl2N3S — CID 71866140

IUPAC1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1
InChIInChI=1S/C12H13Cl2N3S/c1-8(9-4-3-5-10(13)6-9)17(2)7-11-15-12(14)18-16-11/h3-6,8H,7H2,1-2H3
InChIKeyWWESJANIVPQXPT-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine

1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine (PubChem CID 71866140) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine
PubChem CID71866140
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine
SMILESCC(c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1
InChIInChI=1S/C12H13Cl2N3S/c1-8(9-4-3-5-10(13)6-9)17(2)7-11-15-12(14)18-16-11/h3-6,8H,7H2,1-2H3
InChIKeyWWESJANIVPQXPT-UHFFFAOYSA-N
XLogP4.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine 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-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260
1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
CID 116518968
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103070459
2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182335
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
5-bromo-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]aniline
CID 79712993
4-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]benzenecarbothioamide
CID 62980580
2-[[[(1S)-1-(3-chlorophenyl)ethyl]-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94477565
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine (CID 71866140) is 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine is CC(c1cccc(Cl)c1)N(C)Cc1nsc(Cl)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine?
The InChIKey is WWESJANIVPQXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-8(9-4-3-5-10(13)6-9)17(2)7-11-15-12(14)18-16-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine?
1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine has a molecular weight of 302.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-chloro-1,2,4-thiadiazol-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 71866140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).