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

C7H8ClNS — CID 88973812

IUPAC2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CCc2sc(Cl)nc21
InChIInChI=1S/C7H8ClNS/c1-4-2-3-5-6(4)9-7(8)10-5/h4H,2-3H2,1H3
InChIKeyATTXOPBXCCFGOS-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.85
Rot. Bonds

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

2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 88973812) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID88973812
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC1CCc2sc(Cl)nc21
InChIInChI=1S/C7H8ClNS/c1-4-2-3-5-6(4)9-7(8)10-5/h4H,2-3H2,1H3
InChIKeyATTXOPBXCCFGOS-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 88973812) is 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC1CCc2sc(Cl)nc21.
What is the InChIKey of 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is ATTXOPBXCCFGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-4-2-3-5-6(4)9-7(8)10-5/h4H,2-3H2,1H3.
What are the key properties of 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 173.67 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 88973812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).