2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

C13H20N2S — CID 115041792

IUPAC2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC1CCC(Cc2nc3c(s2)CCCC3)NC1
InChIInChI=1S/C13H20N2S/c1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10/h10,14H,1-9H2
InChIKeyVWGXQJIOPHGMFS-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.71
Rot. Bonds2

About 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 115041792) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID115041792
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESC1CCC(Cc2nc3c(s2)CCCC3)NC1
InChIInChI=1S/C13H20N2S/c1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10/h10,14H,1-9H2
InChIKeyVWGXQJIOPHGMFS-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 62210273
2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 62541413
2-(azetidin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 115020034
N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316773
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
5-cyclopropyl-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 115033672
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119743833
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 115041792) is 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole is C1CCC(Cc2nc3c(s2)CCCC3)NC1.
What is the InChIKey of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is VWGXQJIOPHGMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-7-12-11(6-1)15-13(16-12)9-10-5-3-4-8-14-10/h10,14H,1-9H2.
What are the key properties of 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 236.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 115041792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).