N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

C14H14N8OS — CID 121018233

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)n1
InChIInChI=1S/C14H14N8OS/c1-9-5-24-14(19-9)20-13(23)10-3-21(4-10)11-2-12(17-7-16-11)22-8-15-6-18-22/h2,5-8,10H,3-4H2,1H3,(H,19,20,23)
InChIKeyIBVRGPLLJCQHBK-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.90
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (PubChem CID 121018233) has the molecular formula C14H14N8OS and a molecular weight of 342.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
PubChem CID121018233
Molecular FormulaC14H14N8OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
SMILESCc1csc(NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)n1
InChIInChI=1S/C14H14N8OS/c1-9-5-24-14(19-9)20-13(23)10-3-21(4-10)11-2-12(17-7-16-11)22-8-15-6-18-22/h2,5-8,10H,3-4H2,1H3,(H,19,20,23)
InChIKeyIBVRGPLLJCQHBK-UHFFFAOYSA-N
XLogP0.90
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168353
N-tert-butyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168311
N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168450
N-(3-acetylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168361
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600776
N-(4-butylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168397
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168470
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168598
N-[3-(dimethylamino)propyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168316
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
N-(2,6-dimethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600664
ethyl 2-[[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 119101033

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide (CID 121018233) is N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is Cc1csc(NC(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
The InChIKey is IBVRGPLLJCQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8OS/c1-9-5-24-14(19-9)20-13(23)10-3-21(4-10)11-2-12(17-7-16-11)22-8-15-6-18-22/h2,5-8,10H,3-4H2,1H3,(H,19,20,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 121018233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).