5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole

C11H17NS — CID 144988225

IUPAC5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CC(C)(C)C2
InChIInChI=1S/C11H17NS/c1-7(2)10-12-8-5-11(3,4)6-9(8)13-10/h7H,5-6H2,1-4H3
InChIKeyJGOCDAGAEWWHBS-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.39
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole

5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 144988225) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID144988225
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CC(C)(C)C2
InChIInChI=1S/C11H17NS/c1-7(2)10-12-8-5-11(3,4)6-9(8)13-10/h7H,5-6H2,1-4H3
InChIKeyJGOCDAGAEWWHBS-UHFFFAOYSA-N
XLogP3.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole (CID 144988225) is 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole is CC(C)c1nc2c(s1)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is JGOCDAGAEWWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7(2)10-12-8-5-11(3,4)6-9(8)13-10/h7H,5-6H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole?
5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 144988225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).