azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

C18H24N6OS — CID 53172126

IUPACazepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCCCCC1
InChIInChI=1S/C18H24N6OS/c25-18(23-5-3-1-2-4-6-23)15-12-24(14-21-15)17-11-16(19-13-20-17)22-7-9-26-10-8-22/h11-14H,1-10H2
InChIKeyKFVSAWQCTONLQM-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.23
Rot. Bonds3

About azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (PubChem CID 53172126) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
PubChem CID53172126
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Nameazepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCCCCC1
InChIInChI=1S/C18H24N6OS/c25-18(23-5-3-1-2-4-6-23)15-12-24(14-21-15)17-11-16(19-13-20-17)22-7-9-26-10-8-22/h11-14H,1-10H2
InChIKeyKFVSAWQCTONLQM-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172133
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
N-(4-bromophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171985
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
[1-(4-fluorophenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 100816296
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (CID 53172126) is azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is O=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The InChIKey is KFVSAWQCTONLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c25-18(23-5-3-1-2-4-6-23)15-12-24(14-21-15)17-11-16(19-13-20-17)22-7-9-26-10-8-22/h11-14H,1-10H2.
What are the key properties of azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone has a molecular weight of 372.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is sourced from PubChem (CID 53172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).