N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide

C21H19N3OS — CID 110406906

IUPACN-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccc2)n1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3OS/c25-20(23-13-16-12-22-19-9-5-4-8-18(16)19)11-10-17-14-26-21(24-17)15-6-2-1-3-7-15/h1-9,12,14,22H,10-11,13H2,(H,23,25)
InChIKeyJGTCBJQIBFMUKM-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.54
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide

N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide (PubChem CID 110406906) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
PubChem CID110406906
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2ccccc2)n1)NCc1c[nH]c2ccccc12
InChIInChI=1S/C21H19N3OS/c25-20(23-13-16-12-22-19-9-5-4-8-18(16)19)11-10-17-14-26-21(24-17)15-6-2-1-3-7-15/h1-9,12,14,22H,10-11,13H2,(H,23,25)
InChIKeyJGTCBJQIBFMUKM-UHFFFAOYSA-N
XLogP4.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoylamino]propanoic acid
CID 51519434
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
(2S)-3-(1H-indol-3-yl)-2-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 29148564
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(1H-indol-3-yl)propanoate
CID 8749608
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
CID 119681392

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide (CID 110406906) is N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2ccccc2)n1)NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is JGTCBJQIBFMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c25-20(23-13-16-12-22-19-9-5-4-8-18(16)19)11-10-17-14-26-21(24-17)15-6-2-1-3-7-15/h1-9,12,14,22H,10-11,13H2,(H,23,25).
What are the key properties of N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide?
N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 361.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110406906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).