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

C17H16N2OS2 — CID 2533631

IUPACN-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2OS2/c1-19(11-15-8-5-9-21-15)16(20)10-14-12-22-17(18-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyKDTJDZNPFZMFSI-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.07
Rot. Bonds5

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

N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2533631) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2533631
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC NameN-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C17H16N2OS2/c1-19(11-15-8-5-9-21-15)16(20)10-14-12-22-17(18-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyKDTJDZNPFZMFSI-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.07
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-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 2533631) is N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KDTJDZNPFZMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-19(11-15-8-5-9-21-15)16(20)10-14-12-22-17(18-14)13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2533631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).