6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole

C22H24N4S — CID 151072490

IUPAC6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C22H24N4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15/h4-5,10-13,15,23H,3,6-9H2,1-2H3
InChIKeyMIKRDMHGZWSGLV-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.88
Rot. Bonds3

About 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole

6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 151072490) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID151072490
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12
InChIInChI=1S/C22H24N4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15/h4-5,10-13,15,23H,3,6-9H2,1-2H3
InChIKeyMIKRDMHGZWSGLV-UHFFFAOYSA-N
XLogP4.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383029
5-(2-methylindazol-5-yl)-2-piperidin-4-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 156888736
4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383573
6-(2,7-dimethylindazol-5-yl)-2-methyl-1,3-benzothiazole;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153383264
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
CID 169226523
2-methyl-5-(2-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)indazole-7-carbonitrile;hydrochloride
CID 153383267
7-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylisoquinoline;6-(2,7-dimethylindazol-5-yl)-2-piperidin-4-ylquinoxaline
CID 161237062
6-(2,7-dimethylindazol-5-yl)-3-piperidin-4-ylquinazolin-4-one
CID 156888169
6-(2,7-dimethylindazol-5-yl)-N-(2,2-dimethylpiperidin-4-yl)-N-methyl-1,3-benzothiazol-2-amine
CID 150652188
2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 156888108
5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
CID 82383726

Frequently Asked Questions

What is the IUPAC name of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole (CID 151072490) is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is CCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12.
What is the InChIKey of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is MIKRDMHGZWSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15/h4-5,10-13,15,23H,3,6-9H2,1-2H3.
What are the key properties of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole?
6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 376.53 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 151072490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).