(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide

C12H16N2O3S — CID 97423927

IUPAC(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCc1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1C
InChIInChI=1S/C12H16N2O3S/c1-6-7(2)18-11(13-6)14-10(16)8-5-9(15)17-12(8,3)4/h8H,5H2,1-4H3,(H,13,14,16)/t8-/m1/s1
InChIKeyXOISDRBSAVDPDF-MRVPVSSYSA-N
MW268.34 g/mol
LogP2.04
Rot. Bonds2

About (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide

(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide (PubChem CID 97423927) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
PubChem CID97423927
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide
SMILESCc1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1C
InChIInChI=1S/C12H16N2O3S/c1-6-7(2)18-11(13-6)14-10(16)8-5-9(15)17-12(8,3)4/h8H,5H2,1-4H3,(H,13,14,16)/t8-/m1/s1
InChIKeyXOISDRBSAVDPDF-MRVPVSSYSA-N
XLogP2.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The IUPAC name of (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide (CID 97423927) is (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The canonical SMILES for (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide is Cc1nc(NC(=O)[C@H]2CC(=O)OC2(C)C)sc1C.
What is the InChIKey of (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
The InChIKey is XOISDRBSAVDPDF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-6-7(2)18-11(13-6)14-10(16)8-5-9(15)17-12(8,3)4/h8H,5H2,1-4H3,(H,13,14,16)/t8-/m1/s1.
What are the key properties of (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide?
(3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 97423927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).