2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C12H14N2OS2 — CID 32958350

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2sccc2C)cs1
InChIInChI=1S/C12H14N2OS2/c1-8-3-4-16-11(8)6-13-12(15)5-10-7-17-9(2)14-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyIMQDYPFJZIDDKE-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.68
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 32958350) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID32958350
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2sccc2C)cs1
InChIInChI=1S/C12H14N2OS2/c1-8-3-4-16-11(8)6-13-12(15)5-10-7-17-9(2)14-10/h3-4,7H,5-6H2,1-2H3,(H,13,15)
InChIKeyIMQDYPFJZIDDKE-UHFFFAOYSA-N
XLogP2.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 32958350) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1nc(CC(=O)NCc2sccc2C)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is IMQDYPFJZIDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-3-4-16-11(8)6-13-12(15)5-10-7-17-9(2)14-10/h3-4,7H,5-6H2,1-2H3,(H,13,15).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 266.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 32958350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).