3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine

C9H17NS — CID 15621307

IUPAC3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine
SMILESCC1(C)CSC2CCCCN21
InChIInChI=1S/C9H17NS/c1-9(2)7-11-8-5-3-4-6-10(8)9/h8H,3-7H2,1-2H3
InChIKeyRREUGVVMQBVJQU-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.32
Rot. Bonds

About 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine

3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine (PubChem CID 15621307) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine
PubChem CID15621307
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine
SMILESCC1(C)CSC2CCCCN21
InChIInChI=1S/C9H17NS/c1-9(2)7-11-8-5-3-4-6-10(8)9/h8H,3-7H2,1-2H3
InChIKeyRREUGVVMQBVJQU-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine with MolForge

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Launch Full Analysis

Related Compounds

4H-Pyrrolo2,1-d-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
CID 529071
Hexahydro-5H-[1,3]thiazolo[3,2-a]pyridine
CID 15621305
2-Ethyl-4-methyltetrahydro-4h-pyrrolo[2,1-d]-1,3,5-dithiazine
CID 101662598
Tetrahydro-4-methyl-2-isopropyl-4h-pyrrolo[2,1-d]-1,3,5-dithiazine
CID 129858866
(3aR,7aR)-3-tert-butyl-3a,4,5,6,7,7a-hexahydro-2H-1,3-benzothiazole
CID 338648
Pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 4-methyl-2-propyl
CID 529070
(3aR,7aS)-5-tert-butyl-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridine
CID 54150037
4,9-Ditert-butyl-1-thia-4,9-diazaspiro[4.5]decane
CID 58245093
4,8-Ditert-butyl-1-thia-4,8-diazaspiro[4.5]decane
CID 58245234
4,8-Diethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 68341827
9-Tert-butyl-4-ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 68341940
4-Tert-butyl-8-ethyl-1-thia-4,8-diazaspiro[4.5]decane
CID 68342067

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine?
The IUPAC name of 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine (CID 15621307) is 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine.
What is the SMILES notation for 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine?
The canonical SMILES for 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine is CC1(C)CSC2CCCCN21.
What is the InChIKey of 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine?
The InChIKey is RREUGVVMQBVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-9(2)7-11-8-5-3-4-6-10(8)9/h8H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine?
3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine has a molecular weight of 171.31 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine is sourced from PubChem (CID 15621307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).