2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide

C13H8N4OS — CID 146190059

IUPAC2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C13H8N4OS/c14-6-5-12(18)17-13-16-11(8-19-13)10-3-1-9(7-15)2-4-10/h1-4,8H,5H2,(H,16,17,18)
InChIKeyDUKCWLGLVURQIH-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.53
Rot. Bonds3

About 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide

2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 146190059) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID146190059
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1
InChIInChI=1S/C13H8N4OS/c14-6-5-12(18)17-13-16-11(8-19-13)10-3-1-9(7-15)2-4-10/h1-4,8H,5H2,(H,16,17,18)
InChIKeyDUKCWLGLVURQIH-UHFFFAOYSA-N
XLogP2.53
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[(2-cyanoacetyl)amino]-1,3-thiazol-4-yl]benzoate
CID 146190126
2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 5100614
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
2-cyano-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 2356872
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-phenylsulfanylbutanamide
CID 18585565
2-(4-cyanophenoxy)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2473057
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 4577236
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (CID 146190059) is 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is N#CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1.
What is the InChIKey of 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DUKCWLGLVURQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c14-6-5-12(18)17-13-16-11(8-19-13)10-3-1-9(7-15)2-4-10/h1-4,8H,5H2,(H,16,17,18).
What are the key properties of 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 268.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146190059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).