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

C20H17N3OS — CID 60599281

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H17N3OS/c24-19(18-13-25-20(23-18)14-6-2-1-3-7-14)21-11-10-15-12-22-17-9-5-4-8-16(15)17/h1-9,12-13,22H,10-11H2,(H,21,24)
InChIKeyVVQSSPHQGPPOQK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.26
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 60599281) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID60599281
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H17N3OS/c24-19(18-13-25-20(23-18)14-6-2-1-3-7-14)21-11-10-15-12-22-17-9-5-4-8-16(15)17/h1-9,12-13,22H,10-11H2,(H,21,24)
InChIKeyVVQSSPHQGPPOQK-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Ac-Trp-Gln-Leu-Arg-thiazol-2-yl
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1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
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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
CID 69252541
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
Ac-Trp-Arg-Leu-Arg-thiazol-2-yl
CID 118721650

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 60599281) is N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is VVQSSPHQGPPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-19(18-13-25-20(23-18)14-6-2-1-3-7-14)21-11-10-15-12-22-17-9-5-4-8-16(15)17/h1-9,12-13,22H,10-11H2,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 60599281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).