2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

C26H24N6O2S — CID 55519700

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
InChIInChI=1S/C26H24N6O2S/c1-16(33)29-21(14-18-15-28-20-11-7-6-10-19(18)20)25(34)31-26-30-22(17-8-4-3-5-9-17)23(35-26)24-27-12-13-32(24)2/h3-13,15,21,28H,14H2,1-2H3,(H,29,33)(H,30,31,34)
InChIKeyVAKMWLOTUKFTQY-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.38
Rot. Bonds7

About 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (PubChem CID 55519700) has the molecular formula C26H24N6O2S and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
PubChem CID55519700
Molecular FormulaC26H24N6O2S
Molecular Weight484.59 g/mol
Exact Mass484.17
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1
InChIInChI=1S/C26H24N6O2S/c1-16(33)29-21(14-18-15-28-20-11-7-6-10-19(18)20)25(34)31-26-30-22(17-8-4-3-5-9-17)23(35-26)24-27-12-13-32(24)2/h3-13,15,21,28H,14H2,1-2H3,(H,29,33)(H,30,31,34)
InChIKeyVAKMWLOTUKFTQY-UHFFFAOYSA-N
XLogP4.38
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2R)-2-acetamido-N-(6-chloro-3-hydroxy-2-pyridinyl)-3-(1H-indol-3-yl)propanamide
CID 99794385
ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 2008799
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 55468200
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide (CID 55519700) is 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is VAKMWLOTUKFTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S/c1-16(33)29-21(14-18-15-28-20-11-7-6-10-19(18)20)25(34)31-26-30-22(17-8-4-3-5-9-17)23(35-26)24-27-12-13-32(24)2/h3-13,15,21,28H,14H2,1-2H3,(H,29,33)(H,30,31,34).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 484.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55519700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).