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

C15H18N2O2S2 — CID 92563868

IUPAC(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
SMILESCc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCCO2)n1
InChIInChI=1S/C15H18N2O2S2/c1-10-8-21-15(16-10)12(7-11-4-6-20-9-11)17-14(18)13-3-2-5-19-13/h4,6,8-9,12-13H,2-3,5,7H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyWQLMOCLWOUFZLK-STQMWFEESA-N
MW322.45 g/mol
LogP3.09
Rot. Bonds5

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

(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide (PubChem CID 92563868) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
PubChem CID92563868
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide
SMILESCc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCCO2)n1
InChIInChI=1S/C15H18N2O2S2/c1-10-8-21-15(16-10)12(7-11-4-6-20-9-11)17-14(18)13-3-2-5-19-13/h4,6,8-9,12-13H,2-3,5,7H2,1H3,(H,17,18)/t12-,13-/m0/s1
InChIKeyWQLMOCLWOUFZLK-STQMWFEESA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-methoxy-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 124803175
(1S,2R,4R)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98072272
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 92563903
3-cyclopropyl-1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]pyrazole-5-carboxamide
CID 110221950
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110221948
1-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-6-oxopyridine-3-carboxamide
CID 110221963
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]acetamide
CID 110221941
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]oxane-4-carboxamide
CID 110221796
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563894
3-(3-methoxy-1,2-oxazol-5-yl)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]propanamide
CID 92563893

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide (CID 92563868) is (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide is Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCCO2)n1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide?
The InChIKey is WQLMOCLWOUFZLK-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-10-8-21-15(16-10)12(7-11-4-6-20-9-11)17-14(18)13-3-2-5-19-13/h4,6,8-9,12-13H,2-3,5,7H2,1H3,(H,17,18)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide?
(2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]oxolane-2-carboxamide is sourced from PubChem (CID 92563868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).