(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

C20H25N3O2S — CID 94666381

IUPAC(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O2S/c24-19(22-14-7-3-1-2-4-8-14)18-12-26-13-23(18)20(25)16-11-21-17-10-6-5-9-15(16)17/h5-6,9-11,14,18,21H,1-4,7-8,12-13H2,(H,22,24)/t18-/m1/s1
InChIKeyZYOKZPKQNVDBGI-GOSISDBHSA-N
MW371.51 g/mol
LogP3.52
Rot. Bonds3

About (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 94666381) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID94666381
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O2S/c24-19(22-14-7-3-1-2-4-8-14)18-12-26-13-23(18)20(25)16-11-21-17-10-6-5-9-15(16)17/h5-6,9-11,14,18,21H,1-4,7-8,12-13H2,(H,22,24)/t18-/m1/s1
InChIKeyZYOKZPKQNVDBGI-GOSISDBHSA-N
XLogP3.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(1H-indole-3-carbonyl)-N-(1H-indol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 97232814
3-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237232
(4R)-3-(1H-indole-3-carbonyl)-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 52504300
(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
(4R)-N-[(2R)-1-[butyl(methyl)amino]propan-2-yl]-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124742587
4-[[3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carbonyl]-methylamino]butanoic acid
CID 119173088
[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]-[(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]methanone
CID 95781331
1-(1H-indole-3-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 60958469
(4S)-3-benzoyl-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxamide
CID 94834398
N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 73338847
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 82299218

Frequently Asked Questions

What is the IUPAC name of (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 94666381) is (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is O=C(NC1CCCCCC1)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZYOKZPKQNVDBGI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-19(22-14-7-3-1-2-4-8-14)18-12-26-13-23(18)20(25)16-11-21-17-10-6-5-9-15(16)17/h5-6,9-11,14,18,21H,1-4,7-8,12-13H2,(H,22,24)/t18-/m1/s1.
What are the key properties of (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cycloheptyl-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 94666381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).