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

C13H11N3OS3 — CID 29456306

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(-c3cccs3)cs2)cs1
InChIInChI=1S/C13H11N3OS3/c1-8-14-9(6-19-8)5-12(17)16-13-15-10(7-20-13)11-3-2-4-18-11/h2-4,6-7H,5H2,1H3,(H,15,16,17)
InChIKeyPASKUDOIJHGRNW-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.82
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 29456306) has the molecular formula C13H11N3OS3 and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID29456306
Molecular FormulaC13H11N3OS3
Molecular Weight321.45 g/mol
Exact Mass321.01
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc(-c3cccs3)cs2)cs1
InChIInChI=1S/C13H11N3OS3/c1-8-14-9(6-19-8)5-12(17)16-13-15-10(7-20-13)11-3-2-4-18-11/h2-4,6-7H,5H2,1H3,(H,15,16,17)
InChIKeyPASKUDOIJHGRNW-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774
2-naphthalen-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 16849310
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915788
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 55376540
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 30726086
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 29456306) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is Cc1nc(CC(=O)Nc2nc(-c3cccs3)cs2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PASKUDOIJHGRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS3/c1-8-14-9(6-19-8)5-12(17)16-13-15-10(7-20-13)11-3-2-4-18-11/h2-4,6-7H,5H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 321.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 29456306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).