2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

C13H20N2S — CID 62541413

IUPAC2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESC1CCc2nc(C3CCCCN3)sc2CC1
InChIInChI=1S/C13H20N2S/c1-2-6-10-12(8-3-1)16-13(15-10)11-7-4-5-9-14-11/h11,14H,1-9H2
InChIKeyIBDDZGWVZQZJGV-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.23
Rot. Bonds1

About 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole

2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (PubChem CID 62541413) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
PubChem CID62541413
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
SMILESC1CCc2nc(C3CCCCN3)sc2CC1
InChIInChI=1S/C13H20N2S/c1-2-6-10-12(8-3-1)16-13(15-10)11-7-4-5-9-14-11/h11,14H,1-9H2
InChIKeyIBDDZGWVZQZJGV-UHFFFAOYSA-N
XLogP3.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 42078499
6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 62541069
1-(2-piperidin-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 82382457
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 115041792
2-piperidin-2-yl-4,5-dihydrofuro[3,2-e][1,3]benzothiazole
CID 113315254
5-bromo-4-methyl-2-piperidin-2-yl-1,3-thiazole
CID 83693618
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 83859417
2-bromo-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 112623621
2-bromo-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole
CID 112623648
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole (CID 62541413) is 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is C1CCc2nc(C3CCCCN3)sc2CC1.
What is the InChIKey of 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
The InChIKey is IBDDZGWVZQZJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-6-10-12(8-3-1)16-13(15-10)11-7-4-5-9-14-11/h11,14H,1-9H2.
What are the key properties of 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole?
2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole has a molecular weight of 236.38 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 62541413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).