3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

C23H23N3OS — CID 7918438

IUPAC3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C23H23N3OS/c1-14-10-15(2)22(16(3)11-14)20-13-28-23(25-20)26-21(27)9-8-17-12-24-19-7-5-4-6-18(17)19/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,26,27)
InChIKeyACQBANFTTOKRBI-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.79
Rot. Bonds5

About 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide

3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 7918438) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID7918438
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)c(C)c1
InChIInChI=1S/C23H23N3OS/c1-14-10-15(2)22(16(3)11-14)20-13-28-23(25-20)26-21(27)9-8-17-12-24-19-7-5-4-6-18(17)19/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,26,27)
InChIKeyACQBANFTTOKRBI-UHFFFAOYSA-N
XLogP5.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16551690
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
2-(1,2-benzoxazol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8927472
3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
3-(4-oxocinnolin-1-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16568405
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 30371053
N-(2-chloro-4-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 7926669
3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 78915659

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 7918438) is 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1cc(C)c(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)c(C)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is ACQBANFTTOKRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-14-10-15(2)22(16(3)11-14)20-13-28-23(25-20)26-21(27)9-8-17-12-24-19-7-5-4-6-18(17)19/h4-7,10-13,24H,8-9H2,1-3H3,(H,25,26,27).
What are the key properties of 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 389.52 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 7918438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).