(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

C13H17N3O2S2 — CID 124607235

IUPAC(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCc1csc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n1
InChIInChI=1S/C13H17N3O2S2/c1-8-6-19-11(14-8)9-2-4-16(5-3-9)12(17)10-7-20-13(18)15-10/h6,9-10H,2-5,7H2,1H3,(H,15,18)/t10-/m1/s1
InChIKeyHJKBLPSQUNBDDU-SNVBAGLBSA-N
MW311.43 g/mol
LogP1.98
Rot. Bonds2

About (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one

(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (PubChem CID 124607235) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
PubChem CID124607235
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
SMILESCc1csc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n1
InChIInChI=1S/C13H17N3O2S2/c1-8-6-19-11(14-8)9-2-4-16(5-3-9)12(17)10-7-20-13(18)15-10/h6,9-10H,2-5,7H2,1H3,(H,15,18)/t10-/m1/s1
InChIKeyHJKBLPSQUNBDDU-SNVBAGLBSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The IUPAC name of (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one (CID 124607235) is (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The canonical SMILES for (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is Cc1csc(C2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)n1.
What is the InChIKey of (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
The InChIKey is HJKBLPSQUNBDDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-8-6-19-11(14-8)9-2-4-16(5-3-9)12(17)10-7-20-13(18)15-10/h6,9-10H,2-5,7H2,1H3,(H,15,18)/t10-/m1/s1.
What are the key properties of (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one?
(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one has a molecular weight of 311.43 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 124607235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).