2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole

C11H17NS — CID 58734289

IUPAC2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)C(C)(C)CC2(C)C
InChIInChI=1S/C11H17NS/c1-7-12-8-9(13-7)11(4,5)6-10(8,2)3/h6H2,1-5H3
InChIKeyLCYYWTIFVBHKQT-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.41
Rot. Bonds

About 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole

2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole (PubChem CID 58734289) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole
PubChem CID58734289
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)C(C)(C)CC2(C)C
InChIInChI=1S/C11H17NS/c1-7-12-8-9(13-7)11(4,5)6-10(8,2)3/h6H2,1-5H3
InChIKeyLCYYWTIFVBHKQT-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole (CID 58734289) is 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole is Cc1nc2c(s1)C(C)(C)CC2(C)C.
What is the InChIKey of 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole?
The InChIKey is LCYYWTIFVBHKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7-12-8-9(13-7)11(4,5)6-10(8,2)3/h6H2,1-5H3.
What are the key properties of 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole?
2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,6-pentamethyl-5H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58734289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).