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

C12H19NS — CID 58125171

IUPAC2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2C(C)C
InChIInChI=1S/C12H19NS/c1-7(2)9-5-6-10-11(9)13-12(14-10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyKLRWBOCTBVFSAP-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.95
Rot. Bonds2

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

2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 58125171) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID58125171
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2C(C)C
InChIInChI=1S/C12H19NS/c1-7(2)9-5-6-10-11(9)13-12(14-10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyKLRWBOCTBVFSAP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 58125171) is 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)c1nc2c(s1)CCC2C(C)C.
What is the InChIKey of 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is KLRWBOCTBVFSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-7(2)9-5-6-10-11(9)13-12(14-10)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 209.36 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).