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

C11H12ClN3S — CID 103992259

IUPAC1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2ccccc2Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-8-14-15-11(16-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3
InChIKeyAXRRIWAJDFLLLD-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.79
Rot. Bonds4

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

1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (PubChem CID 103992259) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
PubChem CID103992259
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2ccccc2Cl)s1
InChIInChI=1S/C11H12ClN3S/c1-8-14-15-11(16-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3
InChIKeyAXRRIWAJDFLLLD-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
1-(2-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961132
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 90647333
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 113222746
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
1-(2-chlorophenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115645203
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
[4-amino-1-[(2-chlorophenyl)methylamino]-4-oxobutan-2-yl] N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamate
CID 90762547
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine (CID 103992259) is 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is Cc1nnc(CNCc2ccccc2Cl)s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
The InChIKey is AXRRIWAJDFLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-8-14-15-11(16-8)7-13-6-9-4-2-3-5-10(9)12/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine has a molecular weight of 253.76 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103992259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).