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

C16H18N4OS — CID 120616534

IUPAC2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H18N4OS/c17-7-5-15-20-14(10-22-15)16(21)18-8-6-11-9-19-13-4-2-1-3-12(11)13/h1-4,9-10,19H,5-8,17H2,(H,18,21)
InChIKeySEJRBQVDZFMICN-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.10
Rot. Bonds6

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

2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120616534) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120616534
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H18N4OS/c17-7-5-15-20-14(10-22-15)16(21)18-8-6-11-9-19-13-4-2-1-3-12(11)13/h1-4,9-10,19H,5-8,17H2,(H,18,21)
InChIKeySEJRBQVDZFMICN-UHFFFAOYSA-N
XLogP2.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.10
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
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 90757467
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
2-(2-aminoethyl)-N-[2-(2,3-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623940
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-amino-N-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794556
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 120616534) is 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SEJRBQVDZFMICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c17-7-5-15-20-14(10-22-15)16(21)18-8-6-11-9-19-13-4-2-1-3-12(11)13/h1-4,9-10,19H,5-8,17H2,(H,18,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 2.10, 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-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120616534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).