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

C18H20N4O2S — CID 44820441

IUPAC2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C18H20N4O2S/c1-11(21-12(2)23)18-22-16(10-25-18)17(24)19-8-7-13-9-20-15-6-4-3-5-14(13)15/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyNNOWKGATWUOFNF-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.79
Rot. Bonds6

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

2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 44820441) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID44820441
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C18H20N4O2S/c1-11(21-12(2)23)18-22-16(10-25-18)17(24)19-8-7-13-9-20-15-6-4-3-5-14(13)15/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyNNOWKGATWUOFNF-UHFFFAOYSA-N
XLogP2.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

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Ac-Trp-Gln-Leu-Arg-thiazol-2-yl
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CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
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N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
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Indothiazinone
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4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1,3-thiazol-2-ylmethylamino)propan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10648089
(6S,8aS)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-N-[5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44338513
(6S,8aS)-2-[(2R)-2-amino-3-(1H-indol-2-yl)propanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 44453680
Ac-Trp-Arg-Leu-Arg-thiazol-2-yl
CID 118721650
Ac-Trp-Lys-Leu-Arg-thiazol-2-yl
CID 118721653

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 44820441) is 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)NC(C)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1.
What is the InChIKey of 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NNOWKGATWUOFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11(21-12(2)23)18-22-16(10-25-18)17(24)19-8-7-13-9-20-15-6-4-3-5-14(13)15/h3-6,9-11,20H,7-8H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetamidoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44820441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).