3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide

C11H12N2OS2 — CID 58458862

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2nccs2)s1
InChIInChI=1S/C11H12N2OS2/c1-7-5-8(2)16-10(7)11(14)13-6-9-12-3-4-15-9/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeySTIRLMAEIGGHHN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.75
Rot. Bonds3

About 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide

3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 58458862) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide
PubChem CID58458862
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C)c(C(=O)NCc2nccs2)s1
InChIInChI=1S/C11H12N2OS2/c1-7-5-8(2)16-10(7)11(14)13-6-9-12-3-4-15-9/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeySTIRLMAEIGGHHN-UHFFFAOYSA-N
XLogP2.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide (CID 58458862) is 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide is Cc1cc(C)c(C(=O)NCc2nccs2)s1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is STIRLMAEIGGHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7-5-8(2)16-10(7)11(14)13-6-9-12-3-4-15-9/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 58458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).