N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide

C12H9N3OS — CID 113290784

IUPACN-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cncs1)c1ccc(C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-15(12(16)11-7-14-8-17-11)10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3
InChIKeyHAOYZFWAUHDWSH-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.29
Rot. Bonds2

About N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide

N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 113290784) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID113290784
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC NameN-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1cncs1)c1ccc(C#N)cc1
InChIInChI=1S/C12H9N3OS/c1-15(12(16)11-7-14-8-17-11)10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3
InChIKeyHAOYZFWAUHDWSH-UHFFFAOYSA-N
XLogP2.29
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574
N-(4-cyanophenyl)-N-methylpyrazine-2-carboxamide
CID 113242357
N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
4-[1-(1,3-thiazol-5-yl)ethenyl]benzonitrile
CID 18925381
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
N-(4-cyanophenyl)-5-(3-hydroxyprop-1-ynyl)-N-methylthiophene-2-carboxamide
CID 62981333
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
CID 62983360
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
2,5-dichloro-N-(4-cyanophenyl)-N-methylpyridine-4-carboxamide
CID 114918456
6-chloro-N-(4-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 62981263
N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102810450

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide (CID 113290784) is N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide is CN(C(=O)c1cncs1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HAOYZFWAUHDWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-15(12(16)11-7-14-8-17-11)10-4-2-9(6-13)3-5-10/h2-5,7-8H,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide?
N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113290784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).