N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C18H17N5OS — CID 121168252

IUPACN-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)s1
InChIInChI=1S/C18H17N5OS/c1-12-8-19-18(25-12)22-17(24)14-9-23(10-14)16-7-15(20-11-21-16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,19,22,24)
InChIKeyJPTHERUZCRTYFL-UHFFFAOYSA-N
MW351.44 g/mol
LogP2.98
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168252) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168252
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCc1cnc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)s1
InChIInChI=1S/C18H17N5OS/c1-12-8-19-18(25-12)22-17(24)14-9-23(10-14)16-7-15(20-11-21-16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,19,22,24)
InChIKeyJPTHERUZCRTYFL-UHFFFAOYSA-N
XLogP2.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168195
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-(2-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018177
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168151
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 121169108
N-(4-phenoxyphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168173
cyclopropyl-[4-[1-(6-phenylpyrimidin-4-yl)azetidine-3-carbonyl]piperazin-1-yl]methanone
CID 121018196
N-[(2-chlorophenyl)methyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168149
N-(5-chloro-2,4-disulfamoylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168230
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168265
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168252) is N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is Cc1cnc(NC(=O)C2CN(c3cc(-c4ccccc4)ncn3)C2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is JPTHERUZCRTYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12-8-19-18(25-12)22-17(24)14-9-23(10-14)16-7-15(20-11-21-16)13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,19,22,24).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).