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

C9H13NS — CID 20811744

IUPAC2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2
InChIInChI=1S/C9H13NS/c1-6(2)9-10-7-4-3-5-8(7)11-9/h6H,3-5H2,1-2H3
InChIKeyLBUMAFWRDUMLPD-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.76
Rot. Bonds1

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

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 20811744) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID20811744
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2
InChIInChI=1S/C9H13NS/c1-6(2)9-10-7-4-3-5-8(7)11-9/h6H,3-5H2,1-2H3
InChIKeyLBUMAFWRDUMLPD-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 20811744) is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)c1nc2c(s1)CCC2.
What is the InChIKey of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is LBUMAFWRDUMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6(2)9-10-7-4-3-5-8(7)11-9/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 20811744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).