6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine

C22H24N4S — CID 157340258

IUPAC6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1
InChIInChI=1S/C22H24N4S/c1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyJSQCDOWZPUDNLV-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.73
Rot. Bonds2

About 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine

6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 157340258) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine
PubChem CID157340258
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1
InChIInChI=1S/C22H24N4S/c1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyJSQCDOWZPUDNLV-UHFFFAOYSA-N
XLogP4.73
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 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) is 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine is Cc1ccc2c(c1)c1c(n2C)CCN(c2ccc3nc(N(C)C)sc3c2)C1.
What is the InChIKey of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is JSQCDOWZPUDNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-14-5-8-19-16(11-14)17-13-26(10-9-20(17)25(19)4)15-6-7-18-21(12-15)27-22(23-18)24(2)3/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine?
6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 376.53 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 157340258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).