2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde

C14H12N2OS — CID 115146168

IUPAC2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde
SMILESCc1ccsc1Nc1[nH]c2ccccc2c1C=O
InChIInChI=1S/C14H12N2OS/c1-9-6-7-18-14(9)16-13-11(8-17)10-4-2-3-5-12(10)15-13/h2-8,15-16H,1H3
InChIKeyGKVPNEYEZZZVCU-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.09
Rot. Bonds3

About 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde

2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde (PubChem CID 115146168) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde
PubChem CID115146168
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde
SMILESCc1ccsc1Nc1[nH]c2ccccc2c1C=O
InChIInChI=1S/C14H12N2OS/c1-9-6-7-18-14(9)16-13-11(8-17)10-4-2-3-5-12(10)15-13/h2-8,15-16H,1H3
InChIKeyGKVPNEYEZZZVCU-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde 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

2-(cyclopentylmethylamino)-1H-indole-3-carbaldehyde
CID 115146211
9H-carbazole;thiophene-2-carbaldehyde
CID 174706827
2-(2,5-dimethylphenyl)-1H-indole-3-carbaldehyde
CID 3268343
2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde
CID 115146165
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
5-methyl-11H-benzo[a]carbazole
CID 6454977
2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
CID 115146404
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
2-(5-bromothiophen-2-yl)-1H-indole-3-carbaldehyde
CID 82050108
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde?
The IUPAC name of 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde (CID 115146168) is 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde is Cc1ccsc1Nc1[nH]c2ccccc2c1C=O.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde?
The InChIKey is GKVPNEYEZZZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-6-7-18-14(9)16-13-11(8-17)10-4-2-3-5-12(10)15-13/h2-8,15-16H,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde?
2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde has a molecular weight of 256.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)amino]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 115146168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).