12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine

C25H30N4O2S — CID 86344702

IUPAC12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine
SMILESc1ccc(Nc2nc(OC3CCC(N4CCOCC4)CC3)c3c4c(sc3n2)CCC4)cc1
InChIInChI=1S/C25H30N4O2S/c1-2-5-17(6-3-1)26-25-27-23(22-20-7-4-8-21(20)32-24(22)28-25)31-19-11-9-18(10-12-19)29-13-15-30-16-14-29/h1-3,5-6,18-19H,4,7-16H2,(H,26,27,28)
InChIKeyARGAWZIXXIAVFD-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.95
Rot. Bonds5

About 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine

12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine (PubChem CID 86344702) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine.

Molecular Properties

Compound Name12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine
PubChem CID86344702
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine
SMILESc1ccc(Nc2nc(OC3CCC(N4CCOCC4)CC3)c3c4c(sc3n2)CCC4)cc1
InChIInChI=1S/C25H30N4O2S/c1-2-5-17(6-3-1)26-25-27-23(22-20-7-4-8-21(20)32-24(22)28-25)31-19-11-9-18(10-12-19)29-13-15-30-16-14-29/h1-3,5-6,18-19H,4,7-16H2,(H,26,27,28)
InChIKeyARGAWZIXXIAVFD-UHFFFAOYSA-N
XLogP4.95
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine with MolForge

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Related Compounds

12-(4-morpholin-4-ylcyclohexyl)oxy-N-[1-(oxan-4-yl)pyrazol-4-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine
CID 86342648
12-[4-(dimethylamino)cyclohexyl]oxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine
CID 90271802
12-N-(4-morpholin-4-ylcyclohexyl)-10-N-(1H-pyrazol-4-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene-10,12-diamine
CID 90287206
2-[2-[4-[[12-[(4-morpholin-4-ylcyclohexyl)amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl]amino]pyrazol-1-yl]ethoxy]ethanol
CID 90287236
2-N-(1H-imidazol-2-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine
CID 90271810
4-[4-(8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yloxy)cyclohexyl]morpholine
CID 86695248
4-[(4-phenoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]morpholine
CID 2686395
3-N-(4-morpholin-4-ylcyclohexyl)-5-N-(1,2-thiazol-4-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-3,5-diamine
CID 90275893
4-[4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylmethyl)cyclohexyl]morpholine
CID 149271926
N-[3-[[10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]oxy]phenyl]acetamide
CID 2686059
4-(4-morpholin-4-ylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 58432936
4-N-(4-morpholin-4-ylcyclohexyl)-4-N-(1,3-oxazol-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine
CID 118916529

Frequently Asked Questions

What is the IUPAC name of 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine?
The IUPAC name of 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine (CID 86344702) is 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine.
What is the SMILES notation for 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine?
The canonical SMILES for 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine is c1ccc(Nc2nc(OC3CCC(N4CCOCC4)CC3)c3c4c(sc3n2)CCC4)cc1.
What is the InChIKey of 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine?
The InChIKey is ARGAWZIXXIAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-2-5-17(6-3-1)26-25-27-23(22-20-7-4-8-21(20)32-24(22)28-25)31-19-11-9-18(10-12-19)29-13-15-30-16-14-29/h1-3,5-6,18-19H,4,7-16H2,(H,26,27,28).
What are the key properties of 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine?
12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine has a molecular weight of 450.61 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-morpholin-4-ylcyclohexyl)oxy-N-phenyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-amine is sourced from PubChem (CID 86344702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).