3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

C11H12N2O3S2 — CID 71847677

IUPAC3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H12N2O3S2/c1-6-3-8(16-2)9(18-6)10(14)12-4-7-5-17-11(15)13-7/h3,5H,4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXAHCSSUVSJOEDN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds4

About 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide

3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (PubChem CID 71847677) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
PubChem CID71847677
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C11H12N2O3S2/c1-6-3-8(16-2)9(18-6)10(14)12-4-7-5-17-11(15)13-7/h3,5H,4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyXAHCSSUVSJOEDN-UHFFFAOYSA-N
XLogP1.74
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide (CID 71847677) is 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is COc1cc(C)sc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
The InChIKey is XAHCSSUVSJOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-6-3-8(16-2)9(18-6)10(14)12-4-7-5-17-11(15)13-7/h3,5H,4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide?
3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 71847677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).