(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C15H21N3O2S2 — CID 95279006

IUPAC(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cs1
InChIInChI=1S/C15H21N3O2S2/c1-10-17-12(7-22-10)6-16-14(19)13-8-21-9-18(13)15(20)11-4-2-3-5-11/h7,11,13H,2-6,8-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyLEZFVPHSTZSJDC-CYBMUJFWSA-N
MW339.49 g/mol
LogP2.16
Rot. Bonds4

About (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95279006) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95279006
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cs1
InChIInChI=1S/C15H21N3O2S2/c1-10-17-12(7-22-10)6-16-14(19)13-8-21-9-18(13)15(20)11-4-2-3-5-11/h7,11,13H,2-6,8-9H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyLEZFVPHSTZSJDC-CYBMUJFWSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
(4S)-3-(2-ethylbutanoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973579
2-[[[3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245350
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-propanoylpyrrolidine-2-carboxamide
CID 50828964
(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95337207
(4S)-3-(oxolane-2-carbonyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973647
(4S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 50831331
(4S)-3-benzylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 20973510
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
(4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95321789
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 95279006) is (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(CNC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cs1.
What is the InChIKey of (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LEZFVPHSTZSJDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-10-17-12(7-22-10)6-16-14(19)13-8-21-9-18(13)15(20)11-4-2-3-5-11/h7,11,13H,2-6,8-9H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 339.49 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95279006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).