2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C17H20N4OS — CID 120632210

IUPAC2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc2c(CCNC(=O)c3csc(CCN)n3)c[nH]c12
InChIInChI=1S/C17H20N4OS/c1-11-3-2-4-13-12(9-20-16(11)13)6-8-19-17(22)14-10-23-15(21-14)5-7-18/h2-4,9-10,20H,5-8,18H2,1H3,(H,19,22)
InChIKeyZCQSFFWCEHIVEO-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120632210) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120632210
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc2c(CCNC(=O)c3csc(CCN)n3)c[nH]c12
InChIInChI=1S/C17H20N4OS/c1-11-3-2-4-13-12(9-20-16(11)13)6-8-19-17(22)14-10-23-15(21-14)5-7-18/h2-4,9-10,20H,5-8,18H2,1H3,(H,19,22)
InChIKeyZCQSFFWCEHIVEO-UHFFFAOYSA-N
XLogP2.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide 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-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623940
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116585460

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 120632210) is 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cccc2c(CCNC(=O)c3csc(CCN)n3)c[nH]c12.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZCQSFFWCEHIVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11-3-2-4-13-12(9-20-16(11)13)6-8-19-17(22)14-10-23-15(21-14)5-7-18/h2-4,9-10,20H,5-8,18H2,1H3,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).