6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine

C20H19FN4S — CID 139309551

IUPAC6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(N3CCc4c(c5ccc(F)cc5n4C)C3)cc2s1
InChIInChI=1S/C20H19FN4S/c1-22-20-23-16-6-4-13(10-19(16)26-20)25-8-7-17-15(11-25)14-5-3-12(21)9-18(14)24(17)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyDUHFOQGYNFKCIS-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.53
Rot. Bonds2

About 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine

6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 139309551) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine
PubChem CID139309551
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2ccc(N3CCc4c(c5ccc(F)cc5n4C)C3)cc2s1
InChIInChI=1S/C20H19FN4S/c1-22-20-23-16-6-4-13(10-19(16)26-20)25-8-7-17-15(11-25)14-5-3-12(21)9-18(14)24(17)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23)
InChIKeyDUHFOQGYNFKCIS-UHFFFAOYSA-N
XLogP4.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 139309662
6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine
CID 157340258
6-(8-fluoro-5-methyl-3,4,9,9a-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 139309663
4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-methoxyphenol
CID 139309123
6-[8-[[2-[2-(dimethylamino)-1,3-benzothiazol-5-yl]-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine
CID 139316808
8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 139309545
bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-1,3-benzothiazol-2-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
CID 158767357
2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177148961
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(6-fluoro-1-methylbenzimidazol-2-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 141303041
4-fluoro-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3542044
6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
CID 151946807

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine (CID 139309551) is 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2ccc(N3CCc4c(c5ccc(F)cc5n4C)C3)cc2s1.
What is the InChIKey of 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is DUHFOQGYNFKCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-22-20-23-16-6-4-13(10-19(16)26-20)25-8-7-17-15(11-25)14-5-3-12(21)9-18(14)24(17)2/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine?
6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 366.47 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 139309551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).