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

C14H13N3OS — CID 71911030

IUPACN-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(C(C#N)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-9-19-14(17-10)12(7-15)13(18)16-8-11-5-3-2-4-6-11/h2-6,9,12H,8H2,1H3,(H,16,18)
InChIKeySALMHNNSDPEYTQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.38
Rot. Bonds4

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

N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71911030) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71911030
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(C(C#N)C(=O)NCc2ccccc2)n1
InChIInChI=1S/C14H13N3OS/c1-10-9-19-14(17-10)12(7-15)13(18)16-8-11-5-3-2-4-6-11/h2-6,9,12H,8H2,1H3,(H,16,18)
InChIKeySALMHNNSDPEYTQ-UHFFFAOYSA-N
XLogP2.38
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(2-benzylphenoxy)acetate
CID 40984805
(2R)-3-[2-(2-methoxyethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 95173217
3-[2-(2-methoxyethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 47569787
(2R)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070616
(2R)-3-(1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 2323220
(2S)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 97070615
N-benzyl-2-cyano-3-oxobutanamide
CID 47275479
(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
CID 7693524
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide
CID 7367749
2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-3-(5-phenoxypyrazin-2-yl)propanenitrile
CID 75441901

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 71911030) is N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(C(C#N)C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SALMHNNSDPEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-9-19-14(17-10)12(7-15)13(18)16-8-11-5-3-2-4-6-11/h2-6,9,12H,8H2,1H3,(H,16,18).
What are the key properties of N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 271.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71911030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).