(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C17H21N3O2S — CID 97335240

IUPAC(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17(22)15-10-23-11-20(15)16(21)6-4-12-3-5-14-13(9-12)7-8-18-14/h3,5,7-9,15,18H,4,6,10-11H2,1-2H3/t15-/m0/s1
InChIKeyOHNPLAPWWIQQGK-HNNXBMFYSA-N
MW331.44 g/mol
LogP2.09
Rot. Bonds4

About (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 97335240) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID97335240
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc2[nH]ccc2c1
InChIInChI=1S/C17H21N3O2S/c1-19(2)17(22)15-10-23-11-20(15)16(21)6-4-12-3-5-14-13(9-12)7-8-18-14/h3,5,7-9,15,18H,4,6,10-11H2,1-2H3/t15-/m0/s1
InChIKeyOHNPLAPWWIQQGK-HNNXBMFYSA-N
XLogP2.09
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
(3S)-2-[3-(1H-indol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 167919689
(3S)-2-[3-(1H-indol-5-yl)propanoyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 138002348
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 110023702
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
(4S)-N,N-dimethyl-3-(5-nitrofuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95174309
(4R)-3-[2-(4-methoxyphenyl)acetyl]-N-methyl-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 95302302
1-[3-(1H-indol-5-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513106
3-[3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 86883824
3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
CID 47093170
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 97335240) is (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)[C@@H]1CSCN1C(=O)CCc1ccc2[nH]ccc2c1.
What is the InChIKey of (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is OHNPLAPWWIQQGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19(2)17(22)15-10-23-11-20(15)16(21)6-4-12-3-5-14-13(9-12)7-8-18-14/h3,5,7-9,15,18H,4,6,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(1H-indol-5-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 97335240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).