2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole

C16H22N2OS — CID 82190283

IUPAC2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
SMILESCC(C)Cc1nc2c(OC3CCNCC3)cccc2s1
InChIInChI=1S/C16H22N2OS/c1-11(2)10-15-18-16-13(4-3-5-14(16)20-15)19-12-6-8-17-9-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyPTYWYTVMDZBIEE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole

2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole (PubChem CID 82190283) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
PubChem CID82190283
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
SMILESCC(C)Cc1nc2c(OC3CCNCC3)cccc2s1
InChIInChI=1S/C16H22N2OS/c1-11(2)10-15-18-16-13(4-3-5-14(16)20-15)19-12-6-8-17-9-7-12/h3-5,11-12,17H,6-10H2,1-2H3
InChIKeyPTYWYTVMDZBIEE-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-4-pyrrolidin-3-yloxy-1,3-benzothiazole
CID 82190228
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole
CID 52903650
3-methyl-8-piperidin-4-yloxyquinoline
CID 68758115
4-(2,3-dimethylphenoxy)piperidine
CID 24694567
4-(piperidin-4-ylmethyl)-2-propan-2-yl-1,3-benzothiazole
CID 117439002
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
CID 134430043

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole?
The IUPAC name of 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole (CID 82190283) is 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole is CC(C)Cc1nc2c(OC3CCNCC3)cccc2s1.
What is the InChIKey of 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole?
The InChIKey is PTYWYTVMDZBIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)10-15-18-16-13(4-3-5-14(16)20-15)19-12-6-8-17-9-7-12/h3-5,11-12,17H,6-10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole?
2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole has a molecular weight of 290.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole is sourced from PubChem (CID 82190283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).