N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C16H13N3OS3 — CID 55904917

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1cc(C#N)c(NC(=O)Cc2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C16H13N3OS3/c1-2-13-5-11(7-17)16(23-13)19-14(20)6-12-9-22-15(18-12)10-3-4-21-8-10/h3-5,8-9H,2,6H2,1H3,(H,19,20)
InChIKeyOQPLTOYBOIYSKF-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.55
Rot. Bonds5

About N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55904917) has the molecular formula C16H13N3OS3 and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55904917
Molecular FormulaC16H13N3OS3
Molecular Weight359.50 g/mol
Exact Mass359.02
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCCc1cc(C#N)c(NC(=O)Cc2csc(-c3ccsc3)n2)s1
InChIInChI=1S/C16H13N3OS3/c1-2-13-5-11(7-17)16(23-13)19-14(20)6-12-9-22-15(18-12)10-3-4-21-8-10/h3-5,8-9H,2,6H2,1H3,(H,19,20)
InChIKeyOQPLTOYBOIYSKF-UHFFFAOYSA-N
XLogP4.55
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide with MolForge

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Related Compounds

N-(3-cyanophenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8927230
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 48507454
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
N-[4-(ethylsulfonylamino)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55960719
ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 18075486
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
methyl 3-methyl-4-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 36934193
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
2-(1,2-benzoxazol-3-yl)-N-(3-cyano-5-ethylthiophen-2-yl)acetamide
CID 71939133
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9255503

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 55904917) is N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is CCc1cc(C#N)c(NC(=O)Cc2csc(-c3ccsc3)n2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OQPLTOYBOIYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS3/c1-2-13-5-11(7-17)16(23-13)19-14(20)6-12-9-22-15(18-12)10-3-4-21-8-10/h3-5,8-9H,2,6H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55904917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).