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

C19H22N4O2S — CID 90757467

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C19H22N4O2S/c1-3-17(24)22-12(2)19-23-16(11-26-19)18(25)20-9-8-13-10-21-15-7-5-4-6-14(13)15/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyJUCLNABQMVKVJB-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.18
Rot. Bonds7

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

N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 90757467) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID90757467
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCCC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C19H22N4O2S/c1-3-17(24)22-12(2)19-23-16(11-26-19)18(25)20-9-8-13-10-21-15-7-5-4-6-14(13)15/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyJUCLNABQMVKVJB-UHFFFAOYSA-N
XLogP3.18
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 171906863
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-(tert-butylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109215296
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320846
N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrazine-2-carboxamide
CID 146080613
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 84576677
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 90757467) is N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide is CCC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JUCLNABQMVKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-17(24)22-12(2)19-23-16(11-26-19)18(25)20-9-8-13-10-21-15-7-5-4-6-14(13)15/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90757467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).