(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide

C15H22N2O2S2 — CID 95206484

IUPAC(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)s1
InChIInChI=1S/C15H22N2O2S2/c1-10-5-6-11(21-10)7-13(18)17-9-20-8-12(17)14(19)16-15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyAQPJFPFJVCGFNO-GFCCVEGCSA-N
MW326.49 g/mol
LogP2.42
Rot. Bonds3

About (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95206484) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95206484
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)s1
InChIInChI=1S/C15H22N2O2S2/c1-10-5-6-11(21-10)7-13(18)17-9-20-8-12(17)14(19)16-15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,19)/t12-/m1/s1
InChIKeyAQPJFPFJVCGFNO-GFCCVEGCSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide (CID 95206484) is (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide is Cc1ccc(CC(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)s1.
What is the InChIKey of (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AQPJFPFJVCGFNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-10-5-6-11(21-10)7-13(18)17-9-20-8-12(17)14(19)16-15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-tert-butyl-3-[2-(5-methylthiophen-2-yl)acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95206484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).