3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid

C17H19N3O4S — CID 119237232

IUPAC3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CSCN1C(=O)c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H19N3O4S/c1-10(17(23)24)6-19-15(21)14-8-25-9-20(14)16(22)12-7-18-13-5-3-2-4-11(12)13/h2-5,7,10,14,18H,6,8-9H2,1H3,(H,19,21)(H,23,24)
InChIKeyANXFJUFQXXZSFU-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.52
Rot. Bonds5

About 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid

3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237232) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID119237232
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CSCN1C(=O)c1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H19N3O4S/c1-10(17(23)24)6-19-15(21)14-8-25-9-20(14)16(22)12-7-18-13-5-3-2-4-11(12)13/h2-5,7,10,14,18H,6,8-9H2,1H3,(H,19,21)(H,23,24)
InChIKeyANXFJUFQXXZSFU-UHFFFAOYSA-N
XLogP1.52
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 94666381
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 97232814
(4S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95378663
3-[[3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237397
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 52504300
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
2-methyl-3-[(4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carbonyl)amino]propanoic acid
CID 150196014

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid (CID 119237232) is 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1CSCN1C(=O)c1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is ANXFJUFQXXZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-10(17(23)24)6-19-15(21)14-8-25-9-20(14)16(22)12-7-18-13-5-3-2-4-11(12)13/h2-5,7,10,14,18H,6,8-9H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid?
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 361.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).