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

C9H12ClNS — CID 58125185

IUPAC2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2sc(Cl)nc21
InChIInChI=1S/C9H12ClNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyQRHYTPDAGYRKOU-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.48
Rot. Bonds1

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

2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 58125185) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID58125185
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2sc(Cl)nc21
InChIInChI=1S/C9H12ClNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyQRHYTPDAGYRKOU-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 58125185) is 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)C1CCc2sc(Cl)nc21.
What is the InChIKey of 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is QRHYTPDAGYRKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 201.72 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58125185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).