N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

C12H14N2OS2 — CID 47009294

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2ccsc2)cs1
InChIInChI=1S/C12H14N2OS2/c1-9-13-11(8-17-9)5-12(15)14(2)6-10-3-4-16-7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYVHAGLPIKUVQFW-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 47009294) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
PubChem CID47009294
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2ccsc2)cs1
InChIInChI=1S/C12H14N2OS2/c1-9-13-11(8-17-9)5-12(15)14(2)6-10-3-4-16-7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyYVHAGLPIKUVQFW-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide (CID 47009294) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide is Cc1nc(CC(=O)N(C)Cc2ccsc2)cs1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is YVHAGLPIKUVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-9-13-11(8-17-9)5-12(15)14(2)6-10-3-4-16-7-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 266.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 47009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).