6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

C25H30N6OS — CID 159792682

IUPAC6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCN(C)C1CCc2c(c3ccc(Nc4ccc5nc(N6CCOCC6)sc5c4)nc3n2C)C1
InChIInChI=1S/C25H30N6OS/c1-29(2)17-5-8-21-19(15-17)18-6-9-23(28-24(18)30(21)3)26-16-4-7-20-22(14-16)33-25(27-20)31-10-12-32-13-11-31/h4,6-7,9,14,17H,5,8,10-13,15H2,1-3H3,(H,26,28)
InChIKeyNITOBQRNRIGLNU-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.18
Rot. Bonds4

About 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine

6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (PubChem CID 159792682) has the molecular formula C25H30N6OS and a molecular weight of 462.62 g/mol. Its IUPAC name is 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
PubChem CID159792682
Molecular FormulaC25H30N6OS
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC Name6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
SMILESCN(C)C1CCc2c(c3ccc(Nc4ccc5nc(N6CCOCC6)sc5c4)nc3n2C)C1
InChIInChI=1S/C25H30N6OS/c1-29(2)17-5-8-21-19(15-17)18-6-9-23(28-24(18)30(21)3)26-16-4-7-20-22(14-16)33-25(27-20)31-10-12-32-13-11-31/h4,6-7,9,14,17H,5,8,10-13,15H2,1-3H3,(H,26,28)
InChIKeyNITOBQRNRIGLNU-UHFFFAOYSA-N
XLogP4.18
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine with MolForge

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Related Compounds

6-methoxy-9-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydropyrido[2,3-b]indol-2-amine
CID 58512053
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-N,9-dimethyl-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine
CID 53494842
1-cycloheptyl-3-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)urea
CID 75466716
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
(3R)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)oxolane-3-carboxamide
CID 95272006
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
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4-amino-3-methoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)butanamide
CID 120594765
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 29099805
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The IUPAC name of 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine (CID 159792682) is 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine.
What is the SMILES notation for 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The canonical SMILES for 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is CN(C)C1CCc2c(c3ccc(Nc4ccc5nc(N6CCOCC6)sc5c4)nc3n2C)C1.
What is the InChIKey of 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
The InChIKey is NITOBQRNRIGLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6OS/c1-29(2)17-5-8-21-19(15-17)18-6-9-23(28-24(18)30(21)3)26-16-4-7-20-22(14-16)33-25(27-20)31-10-12-32-13-11-31/h4,6-7,9,14,17H,5,8,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine?
6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine has a molecular weight of 462.62 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N,9-trimethyl-2-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydropyrido[2,3-b]indole-2,6-diamine is sourced from PubChem (CID 159792682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).