2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole

C9H13NS — CID 118642039

IUPAC2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)CC(C)(C)C2
InChIInChI=1S/C9H13NS/c1-6-10-7-4-9(2,3)5-8(7)11-6/h4-5H2,1-3H3
InChIKeyVSEQMCBXETYFOO-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.58
Rot. Bonds

About 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole

2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 118642039) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID118642039
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)CC(C)(C)C2
InChIInChI=1S/C9H13NS/c1-6-10-7-4-9(2,3)5-8(7)11-6/h4-5H2,1-3H3
InChIKeyVSEQMCBXETYFOO-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole (CID 118642039) is 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole is Cc1nc2c(s1)CC(C)(C)C2.
What is the InChIKey of 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is VSEQMCBXETYFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6-10-7-4-9(2,3)5-8(7)11-6/h4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole?
2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 118642039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).