2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]

C19H24ClN3O2S — CID 167024477

IUPAC2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
SMILESCC1CC2(COCCc3cc(Cl)sc32)CC(c2cnc3n2CCOC3)N1
InChIInChI=1S/C19H24ClN3O2S/c1-12-7-19(11-25-4-2-13-6-16(20)26-18(13)19)8-14(22-12)15-9-21-17-10-24-5-3-23(15)17/h6,9,12,14,22H,2-5,7-8,10-11H2,1H3
InChIKeyMWVIQGJQCFMSKN-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.45
Rot. Bonds1

About 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]

2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] (PubChem CID 167024477) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine].

Molecular Properties

Compound Name2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
PubChem CID167024477
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
SMILESCC1CC2(COCCc3cc(Cl)sc32)CC(c2cnc3n2CCOC3)N1
InChIInChI=1S/C19H24ClN3O2S/c1-12-7-19(11-25-4-2-13-6-16(20)26-18(13)19)8-14(22-12)15-9-21-17-10-24-5-3-23(15)17/h6,9,12,14,22H,2-5,7-8,10-11H2,1H3
InChIKeyMWVIQGJQCFMSKN-UHFFFAOYSA-N
XLogP3.45
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] with MolForge

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Related Compounds

2-chloro-2'-methyl-6'-[3-(oxan-4-yl)-1H-pyrazol-5-yl]spiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]
CID 167024113
5-(2-chloro-6'-methylspiro[5,7,8,9-tetrahydro-4H-thieno[3,2-d]oxonine-10,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine
CID 167024038
5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine
CID 164725678
2-chloro-2'-methyl-6'-(2-methylpyrazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726138
2-chloro-2'-(3-methoxy-1-methylpyrazol-4-yl)-6'-methylspiro[4,5,7,8-tetrahydrothieno[2,3-e]oxazocine-9,4'-piperidine]
CID 167024149
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(5-methyl-2H-pyrrol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 165027170
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]pyrimidin-2-amine
CID 164725799
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylpyrimidin-2-amine
CID 164726164
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(6-methyl-3-pyridinyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726085
2-chloro-2'-methyl-6'-pyridazin-4-ylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726140
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(3-methylpyrazin-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726079
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 167024285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]?
The IUPAC name of 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] (CID 167024477) is 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine].
What is the SMILES notation for 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]?
The canonical SMILES for 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] is CC1CC2(COCCc3cc(Cl)sc32)CC(c2cnc3n2CCOC3)N1.
What is the InChIKey of 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]?
The InChIKey is MWVIQGJQCFMSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-12-7-19(11-25-4-2-13-6-16(20)26-18(13)19)8-14(22-12)15-9-21-17-10-24-5-3-23(15)17/h6,9,12,14,22H,2-5,7-8,10-11H2,1H3.
What are the key properties of 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine]?
2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] has a molecular weight of 393.94 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2'-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-yl)-6'-methylspiro[5,7-dihydro-4H-thieno[2,3-d]oxepine-8,4'-piperidine] is sourced from PubChem (CID 167024477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).