N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C15H12N8OS — CID 166887789

IUPACN-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)s1
InChIInChI=1S/C15H12N8OS/c16-5-11-6-17-15(25-11)21-14(24)10-7-22(8-10)12-4-13(19-9-18-12)23-3-1-2-20-23/h1-4,6,9-10H,7-8H2,(H,17,21,24)
InChIKeyCMQLMHMLVWUOKB-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.07
Rot. Bonds4

About N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 166887789) has the molecular formula C15H12N8OS and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID166887789
Molecular FormulaC15H12N8OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESN#Cc1cnc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)s1
InChIInChI=1S/C15H12N8OS/c16-5-11-6-17-15(25-11)21-14(24)10-7-22(8-10)12-4-13(19-9-18-12)23-3-1-2-20-23/h1-4,6,9-10H,7-8H2,(H,17,21,24)
InChIKeyCMQLMHMLVWUOKB-UHFFFAOYSA-N
XLogP1.07
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168715
N-(1,2-oxazol-3-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168746
N-(5-nitro-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520530
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168682
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520656
N-(2-methoxy-5-nitrophenyl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168722
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168611
N-[(1R,2S)-2-methylcyclohexyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 124892017
N-(5-cyano-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 90603537
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525
methyl 1-[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carbonyl]piperidine-4-carboxylate
CID 121168618
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 166887789) is N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is N#Cc1cnc(NC(=O)C2CN(c3cc(-n4cccn4)ncn3)C2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is CMQLMHMLVWUOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8OS/c16-5-11-6-17-15(25-11)21-14(24)10-7-22(8-10)12-4-13(19-9-18-12)23-3-1-2-20-23/h1-4,6,9-10H,7-8H2,(H,17,21,24).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 166887789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).