N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine

C13H12ClN3S — CID 168580069

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
SMILESCc1c[nH]c2c(NCc3cnc(Cl)s3)cccc12
InChIInChI=1S/C13H12ClN3S/c1-8-5-16-12-10(8)3-2-4-11(12)15-6-9-7-17-13(14)18-9/h2-5,7,15-16H,6H2,1H3
InChIKeyVHFBNJGZVNHVSI-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.20
Rot. Bonds3

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine (PubChem CID 168580069) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
PubChem CID168580069
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine
SMILESCc1c[nH]c2c(NCc3cnc(Cl)s3)cccc12
InChIInChI=1S/C13H12ClN3S/c1-8-5-16-12-10(8)3-2-4-11(12)15-6-9-7-17-13(14)18-9/h2-5,7,15-16H,6H2,1H3
InChIKeyVHFBNJGZVNHVSI-UHFFFAOYSA-N
XLogP4.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-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 N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine (CID 168580069) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine is Cc1c[nH]c2c(NCc3cnc(Cl)s3)cccc12.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine?
The InChIKey is VHFBNJGZVNHVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-8-5-16-12-10(8)3-2-4-11(12)15-6-9-7-17-13(14)18-9/h2-5,7,15-16H,6H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine has a molecular weight of 277.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-1H-indol-7-amine is sourced from PubChem (CID 168580069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).