5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole

C9H12ClNS — CID 106798533

IUPAC5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole
SMILESCC(Cl)C1(Cc2cncs2)CC1
InChIInChI=1S/C9H12ClNS/c1-7(10)9(2-3-9)4-8-5-11-6-12-8/h5-7H,2-4H2,1H3
InChIKeyHNUGVZLDBBNRQQ-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.09
Rot. Bonds3

About 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole

5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole (PubChem CID 106798533) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole
PubChem CID106798533
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole
SMILESCC(Cl)C1(Cc2cncs2)CC1
InChIInChI=1S/C9H12ClNS/c1-7(10)9(2-3-9)4-8-5-11-6-12-8/h5-7H,2-4H2,1H3
InChIKeyHNUGVZLDBBNRQQ-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676
5-(3-Chlorobutan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784066
5-(3-Chlorobutyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784217
5-(3-Chloro-4-methylpentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784223
5-(3-Chloro-3-cyclopropylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784224
5-(3-Chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784225
5-(3-Chloro-2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784236
5-(4-Chloropentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784238
5-(4-Chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784240
5-(3-Chloro-1-methylcyclopentyl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784249
5-(1-Chloro-2-methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 126973876

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole (CID 106798533) is 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole is CC(Cl)C1(Cc2cncs2)CC1.
What is the InChIKey of 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole?
The InChIKey is HNUGVZLDBBNRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-7(10)9(2-3-9)4-8-5-11-6-12-8/h5-7H,2-4H2,1H3.
What are the key properties of 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole?
5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole has a molecular weight of 201.72 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1-chloroethyl)cyclopropyl]methyl]-1,3-thiazole is sourced from PubChem (CID 106798533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).