N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide

C19H20N6OS — CID 53172092

IUPACN-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)c1
InChIInChI=1S/C19H20N6OS/c1-14-3-2-4-15(9-14)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-5-7-27-8-6-24/h2-4,9-13H,5-8H2,1H3,(H,23,26)
InChIKeyUFUFGEOZEGLZSK-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.78
Rot. Bonds4

About N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide

N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide (PubChem CID 53172092) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
PubChem CID53172092
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)c1
InChIInChI=1S/C19H20N6OS/c1-14-3-2-4-15(9-14)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-5-7-27-8-6-24/h2-4,9-13H,5-8H2,1H3,(H,23,26)
InChIKeyUFUFGEOZEGLZSK-UHFFFAOYSA-N
XLogP2.78
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172126
N-(3,4-dimethoxyphenyl)-1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172007
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172133
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022
N-(3-chlorophenyl)-1-[6-(dimethylamino)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172146
4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 30868217
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104537
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide (CID 53172092) is N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(-c3cc(N4CCSCC4)ncn3)cn2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide?
The InChIKey is UFUFGEOZEGLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-14-3-2-4-15(9-14)23-19(26)16-11-25(13-22-16)18-10-17(20-12-21-18)24-5-7-27-8-6-24/h2-4,9-13H,5-8H2,1H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide?
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53172092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).