N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide

C15H14N2OS3 — CID 8940367

IUPACN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3cccs3)s2)cs1
InChIInChI=1S/C15H14N2OS3/c1-10-17-13(9-20-10)14-5-4-12(21-14)8-16-15(18)7-11-3-2-6-19-11/h2-6,9H,7-8H2,1H3,(H,16,18)
InChIKeyBLZDLISXKLWLKC-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.10
Rot. Bonds5

About N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 8940367) has the molecular formula C15H14N2OS3 and a molecular weight of 334.49 g/mol. Its IUPAC name is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID8940367
Molecular FormulaC15H14N2OS3
Molecular Weight334.49 g/mol
Exact Mass334.03
IUPAC NameN-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1nc(-c2ccc(CNC(=O)Cc3cccs3)s2)cs1
InChIInChI=1S/C15H14N2OS3/c1-10-17-13(9-20-10)14-5-4-12(21-14)8-16-15(18)7-11-3-2-6-19-11/h2-6,9H,7-8H2,1H3,(H,16,18)
InChIKeyBLZDLISXKLWLKC-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
4-methyl-N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]benzamide
CID 24550813
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17468804
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-[(2-chlorophenyl)methylsulfanyl]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941071
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
(3R)-3-acetamido-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-3-phenylpropanamide
CID 8940560
N-[2-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 24550817

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide (CID 8940367) is N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide is Cc1nc(-c2ccc(CNC(=O)Cc3cccs3)s2)cs1.
What is the InChIKey of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is BLZDLISXKLWLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS3/c1-10-17-13(9-20-10)14-5-4-12(21-14)8-16-15(18)7-11-3-2-6-19-11/h2-6,9H,7-8H2,1H3,(H,16,18).
What are the key properties of N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 334.49 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 8940367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).