(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide

C15H21N3O3S — CID 95614343

IUPAC(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C15H21N3O3S/c1-9-13(10(2)21-17-9)16-14(19)12-7-22-8-18(12)15(20)11-5-3-4-6-11/h11-12H,3-8H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyWUABVPXXPUWELY-GFCCVEGCSA-N
MW323.42 g/mol
LogP2.32
Rot. Bonds3

About (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95614343) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID95614343
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1noc(C)c1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C15H21N3O3S/c1-9-13(10(2)21-17-9)16-14(19)12-7-22-8-18(12)15(20)11-5-3-4-6-11/h11-12H,3-8H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyWUABVPXXPUWELY-GFCCVEGCSA-N
XLogP2.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide (CID 95614343) is (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide is Cc1noc(C)c1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is WUABVPXXPUWELY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-9-13(10(2)21-17-9)16-14(19)12-7-22-8-18(12)15(20)11-5-3-4-6-11/h11-12H,3-8H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95614343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).