(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide

C17H31N3O2S — CID 95334963

IUPAC(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C17H31N3O2S/c1-17(2,11-19(3)4)10-18-15(21)14-9-23-12-20(14)16(22)13-7-5-6-8-13/h13-14H,5-12H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyVULTYQCWDDBGQC-AWEZNQCLSA-N
MW341.52 g/mol
LogP1.78
Rot. Bonds6

About (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95334963) has the molecular formula C17H31N3O2S and a molecular weight of 341.52 g/mol. Its IUPAC name is (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95334963
Molecular FormulaC17H31N3O2S
Molecular Weight341.52 g/mol
Exact Mass341.21
IUPAC Name(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C17H31N3O2S/c1-17(2,11-19(3)4)10-18-15(21)14-9-23-12-20(14)16(22)13-7-5-6-8-13/h13-14H,5-12H2,1-4H3,(H,18,21)/t14-/m0/s1
InChIKeyVULTYQCWDDBGQC-AWEZNQCLSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95383466
(4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95321789
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119406281
3-(cyclopentanecarbonyl)-N-(piperidin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119461517
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63790124
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
3-(cyclopentanecarbonyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 120887829
(4S)-N-[(2S)-2-methyl-2-[[(4R)-3-propanoyl-1,3-thiazolidine-4-carbonyl]amino]butyl]-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 96535321
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
(4R)-3-(cyclobutanecarbonyl)-N-(dicyclopropylmethyl)-1,3-thiazolidine-4-carboxamide
CID 97068575
(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95156095

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide (CID 95334963) is (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1.
What is the InChIKey of (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VULTYQCWDDBGQC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H31N3O2S/c1-17(2,11-19(3)4)10-18-15(21)14-9-23-12-20(14)16(22)13-7-5-6-8-13/h13-14H,5-12H2,1-4H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.52 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(cyclopentanecarbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95334963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).