3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

C24H24N4O3S — CID 42931144

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1
InChIInChI=1S/C24H24N4O3S/c1-14-23(18-6-4-5-7-19(18)25-14)21-13-32-24(27-21)28-22(30)12-20(26-15(2)29)16-8-10-17(31-3)11-9-16/h4-11,13,20,25H,12H2,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyFRKPYSXWKRKOND-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.81
Rot. Bonds7

About 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 42931144) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID42931144
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(C(CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1
InChIInChI=1S/C24H24N4O3S/c1-14-23(18-6-4-5-7-19(18)25-14)21-13-32-24(27-21)28-22(30)12-20(26-15(2)29)16-8-10-17(31-3)11-9-16/h4-11,13,20,25H,12H2,1-3H3,(H,26,29)(H,27,28,30)
InChIKeyFRKPYSXWKRKOND-UHFFFAOYSA-N
XLogP4.81
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
3-acetamido-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 134012182
(2S)-2-acetamido-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 46969745
(3R)-3-acetamido-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 42494706
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
(3S)-3-acetamido-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propanamide
CID 29482131
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135987755
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (CID 42931144) is 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is COc1ccc(C(CC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FRKPYSXWKRKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-14-23(18-6-4-5-7-19(18)25-14)21-13-32-24(27-21)28-22(30)12-20(26-15(2)29)16-8-10-17(31-3)11-9-16/h4-11,13,20,25H,12H2,1-3H3,(H,26,29)(H,27,28,30).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 448.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 42931144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).