6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine

C24H29N5S — CID 150652188

IUPAC6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2ccc3nc(N(C)C4CCNC(C)(C)C4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C24H29N5S/c1-15-10-17(11-18-14-28(4)27-22(15)18)16-6-7-20-21(12-16)30-23(26-20)29(5)19-8-9-25-24(2,3)13-19/h6-7,10-12,14,19,25H,8-9,13H2,1-5H3
InChIKeyJCCMLCFOPZPZAP-UHFFFAOYSA-N
MW419.60 g/mol
LogP5.13
Rot. Bonds3

About 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine

6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 150652188) has the molecular formula C24H29N5S and a molecular weight of 419.60 g/mol. Its IUPAC name is 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
PubChem CID150652188
Molecular FormulaC24H29N5S
Molecular Weight419.60 g/mol
Exact Mass419.21
IUPAC Name6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2ccc3nc(N(C)C4CCNC(C)(C)C4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C24H29N5S/c1-15-10-17(11-18-14-28(4)27-22(15)18)16-6-7-20-21(12-16)30-23(26-20)29(5)19-8-9-25-24(2,3)13-19/h6-7,10-12,14,19,25H,8-9,13H2,1-5H3
InChIKeyJCCMLCFOPZPZAP-UHFFFAOYSA-N
XLogP5.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine (CID 150652188) is 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine is Cc1cc(-c2ccc3nc(N(C)C4CCNC(C)(C)C4)sc3c2)cc2cn(C)nc12.
What is the InChIKey of 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JCCMLCFOPZPZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S/c1-15-10-17(11-18-14-28(4)27-22(15)18)16-6-7-20-21(12-16)30-23(26-20)29(5)19-8-9-25-24(2,3)13-19/h6-7,10-12,14,19,25H,8-9,13H2,1-5H3.
What are the key properties of 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine?
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 419.60 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 150652188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).