5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole

C9H10ClNS — CID 112644759

IUPAC5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole
SMILESClC1C=C(Cc2cncs2)CC1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(3-8)4-9-5-11-6-12-9/h3,5-6,8H,1-2,4H2
InChIKeySQEPKOPQDSDHJH-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.01
Rot. Bonds2

About 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole

5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole (PubChem CID 112644759) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole
PubChem CID112644759
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole
SMILESClC1C=C(Cc2cncs2)CC1
InChIInChI=1S/C9H10ClNS/c10-8-2-1-7(3-8)4-9-5-11-6-12-9/h3,5-6,8H,1-2,4H2
InChIKeySQEPKOPQDSDHJH-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(3-Chlorohexyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784220
5-(3-Chlorocyclohexen-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784246
5-(3-Chlorocyclopenten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784248
5-(3-Chlorocyclohepten-1-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 107383872
5-Hexyl-1,3-thiazole
CID 53883548
5-(Cyclohexen-1-yl)-1,3-thiazole
CID 54428506
5-[(E)-2,3-dimethylpent-3-enyl]-1,3-thiazole
CID 60065977
5-[2-(Chloromethyl)-2-methylbut-3-en-1-yl]-1,3-thiazole
CID 102641990
5-(5-Chloro-2-methylpent-2-enyl)-1,3-thiazole
CID 103954023
5-[2-(Chloromethyl)cyclopropyl]-1,3-thiazole
CID 104079235
5-(3-Chloro-3-cyclopentylpropyl)-1,3-thiazole
CID 104242497
5-[[1-(1-Chloroethyl)cyclopropyl]methyl]-1,3-thiazole
CID 106798533

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole (CID 112644759) is 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole is ClC1C=C(Cc2cncs2)CC1.
What is the InChIKey of 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole?
The InChIKey is SQEPKOPQDSDHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-8-2-1-7(3-8)4-9-5-11-6-12-9/h3,5-6,8H,1-2,4H2.
What are the key properties of 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole?
5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole has a molecular weight of 199.71 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorocyclopenten-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).