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

C16H15N3O2S — CID 11077881

IUPAC2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N3O2S/c1-10(20)16-19-14(9-22-16)15(21)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)
InChIKeyJIWXCBLXWXZOHU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.80
Rot. Bonds5

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

2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 11077881) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID11077881
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1
InChIInChI=1S/C16H15N3O2S/c1-10(20)16-19-14(9-22-16)15(21)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21)
InChIKeyJIWXCBLXWXZOHU-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
CID 15636963
Indothiazinone
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4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
CID 11673059
(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
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-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 11077881) is 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1.
What is the InChIKey of 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JIWXCBLXWXZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(20)16-19-14(9-22-16)15(21)17-7-6-11-8-18-13-5-3-2-4-12(11)13/h2-5,8-9,18H,6-7H2,1H3,(H,17,21).
What are the key properties of 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11077881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).