(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole

C9H13NS — CID 89354085

IUPAC(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole
SMILESC[C@@H]1CC(C)(C)c2scnc21
InChIInChI=1S/C9H13NS/c1-6-4-9(2,3)8-7(6)10-5-11-8/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyHAQUOWFUHQUXOB-ZCFIWIBFSA-N
MW167.28 g/mol
LogP2.93
Rot. Bonds

About (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole

(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 89354085) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole
PubChem CID89354085
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole
SMILESC[C@@H]1CC(C)(C)c2scnc21
InChIInChI=1S/C9H13NS/c1-6-4-9(2,3)8-7(6)10-5-11-8/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyHAQUOWFUHQUXOB-ZCFIWIBFSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole (CID 89354085) is (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole is C[C@@H]1CC(C)(C)c2scnc21.
What is the InChIKey of (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is HAQUOWFUHQUXOB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13NS/c1-6-4-9(2,3)8-7(6)10-5-11-8/h5-6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole?
(4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6,6-trimethyl-4,5-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 89354085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).