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

C15H16N2O2S — CID 99876961

IUPAC(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)[C@H]2CCOC2)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-16-14(9-20-10)12-4-2-3-5-13(12)17-15(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyNCQLYQAQRGPBME-NSHDSACASA-N
MW288.37 g/mol
LogP3.09
Rot. Bonds3

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

(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide (PubChem CID 99876961) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
PubChem CID99876961
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)[C@H]2CCOC2)cs1
InChIInChI=1S/C15H16N2O2S/c1-10-16-14(9-20-10)12-4-2-3-5-13(12)17-15(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyNCQLYQAQRGPBME-NSHDSACASA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide (CID 99876961) is (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)[C@H]2CCOC2)cs1.
What is the InChIKey of (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is NCQLYQAQRGPBME-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-10-16-14(9-20-10)12-4-2-3-5-13(12)17-15(18)11-6-7-19-8-11/h2-5,9,11H,6-8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide?
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 99876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).