2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C12H19NS — CID 59534154

IUPAC2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CC(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-7(2)9-5-10-11(6-9)14-12(13-10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyGCPMCLHKMCCGND-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.64
Rot. Bonds2

About 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 59534154) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID59534154
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CC(C(C)C)C2
InChIInChI=1S/C12H19NS/c1-7(2)9-5-10-11(6-9)14-12(13-10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyGCPMCLHKMCCGND-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 59534154) is 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)c1nc2c(s1)CC(C(C)C)C2.
What is the InChIKey of 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is GCPMCLHKMCCGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-7(2)9-5-10-11(6-9)14-12(13-10)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 209.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 59534154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).