N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C9H6N4O2S — CID 90603668

IUPACN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C#N)s2)no1
InChIInChI=1S/C9H6N4O2S/c1-5-2-7(13-15-5)8(14)12-9-11-4-6(3-10)16-9/h2,4H,1H3,(H,11,12,14)
InChIKeyQKVNQJOKAWLZHN-UHFFFAOYSA-N
MW234.24 g/mol
LogP1.56
Rot. Bonds2

About N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 90603668) has the molecular formula C9H6N4O2S and a molecular weight of 234.24 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID90603668
Molecular FormulaC9H6N4O2S
Molecular Weight234.24 g/mol
Exact Mass234.02
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(C#N)s2)no1
InChIInChI=1S/C9H6N4O2S/c1-5-2-7(13-15-5)8(14)12-9-11-4-6(3-10)16-9/h2,4H,1H3,(H,11,12,14)
InChIKeyQKVNQJOKAWLZHN-UHFFFAOYSA-N
XLogP1.56
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60801691
N-(5-cyano-1,3-thiazol-2-yl)-3-methylbenzamide
CID 90603545
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
2-chloro-N-(5-cyano-1,3-thiazol-2-yl)acetamide
CID 166432032
N-(5-cyano-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 90603554
N-cyano-5-methyl-1,2-oxazole-3-carboxamide
CID 79193768
5-bromo-N-(5-cyano-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 90603525
1-tert-butyl-3-(5-cyano-1,3-thiazol-2-yl)urea
CID 90603690
2-bromo-N-(5-cyano-1,3-thiazol-2-yl)benzamide
CID 90603571
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90603522
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
N-(2-cyanopropan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63930204

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 90603668) is N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ncc(C#N)s2)no1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QKVNQJOKAWLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2S/c1-5-2-7(13-15-5)8(14)12-9-11-4-6(3-10)16-9/h2,4H,1H3,(H,11,12,14).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 234.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90603668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).