N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide

C10H9N5OS — CID 113248158

IUPACN-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nn(C)cc2C#N)s1
InChIInChI=1S/C10H9N5OS/c1-6-12-4-8(17-6)10(16)13-9-7(3-11)5-15(2)14-9/h4-5H,1-2H3,(H,13,14,16)
InChIKeyWBDJUDFDIFINFP-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.31
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide

N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 113248158) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID113248158
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC NameN-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nn(C)cc2C#N)s1
InChIInChI=1S/C10H9N5OS/c1-6-12-4-8(17-6)10(16)13-9-7(3-11)5-15(2)14-9/h4-5H,1-2H3,(H,13,14,16)
InChIKeyWBDJUDFDIFINFP-UHFFFAOYSA-N
XLogP1.31
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
CID 112697621
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
N-(4-cyano-1-methylpyrazol-3-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 113430347
N-(4-cyano-1-methylpyrazol-3-yl)cyclopentanecarboxamide
CID 112696251
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide (CID 113248158) is N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2nn(C)cc2C#N)s1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WBDJUDFDIFINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-6-12-4-8(17-6)10(16)13-9-7(3-11)5-15(2)14-9/h4-5H,1-2H3,(H,13,14,16).
What are the key properties of N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113248158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).