2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C15H16N4OS — CID 87016425

IUPAC2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)N(C)c1nccs1)Cc1cccc(C#N)c1
InChIInChI=1S/C15H16N4OS/c1-18(10-13-5-3-4-12(8-13)9-16)11-14(20)19(2)15-17-6-7-21-15/h3-8H,10-11H2,1-2H3
InChIKeyBIIZJSHGMBUILY-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.11
Rot. Bonds5

About 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 87016425) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID87016425
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(CC(=O)N(C)c1nccs1)Cc1cccc(C#N)c1
InChIInChI=1S/C15H16N4OS/c1-18(10-13-5-3-4-12(8-13)9-16)11-14(20)19(2)15-17-6-7-21-15/h3-8H,10-11H2,1-2H3
InChIKeyBIIZJSHGMBUILY-UHFFFAOYSA-N
XLogP2.11
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 55861170
(E)-4-[(3-cyanophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 55237302
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
3-[[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]methyl]benzonitrile
CID 62981347
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 62982745
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
2-[(3-cyanophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86931089
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
3-[[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983254
3-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 60552938
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 87016425) is 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CN(CC(=O)N(C)c1nccs1)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BIIZJSHGMBUILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-18(10-13-5-3-4-12(8-13)9-16)11-14(20)19(2)15-17-6-7-21-15/h3-8H,10-11H2,1-2H3.
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 300.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87016425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).