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

C17H20N4OS — CID 119779445

IUPAC2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3csc(CN)n3)c[nH]c12
InChIInChI=1S/C17H20N4OS/c1-2-11-4-3-5-13-12(9-20-16(11)13)6-7-19-17(22)14-10-23-15(8-18)21-14/h3-5,9-10,20H,2,6-8,18H2,1H3,(H,19,22)
InChIKeyCAPNDFTXSNHVSM-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.62
Rot. Bonds6

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

2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119779445) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID119779445
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3csc(CN)n3)c[nH]c12
InChIInChI=1S/C17H20N4OS/c1-2-11-4-3-5-13-12(9-20-16(11)13)6-7-19-17(22)14-10-23-15(8-18)21-14/h3-5,9-10,20H,2,6-8,18H2,1H3,(H,19,22)
InChIKeyCAPNDFTXSNHVSM-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
CID 166376122
2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 103006505
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
2-(aminomethyl)-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119798217
2-(aminomethyl)-N-(2-ethyl-6-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119671103
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 119779445) is 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is CCc1cccc2c(CCNC(=O)c3csc(CN)n3)c[nH]c12.
What is the InChIKey of 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CAPNDFTXSNHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-2-11-4-3-5-13-12(9-20-16(11)13)6-7-19-17(22)14-10-23-15(8-18)21-14/h3-5,9-10,20H,2,6-8,18H2,1H3,(H,19,22).
What are the key properties of 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119779445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).