2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole

C9H12ClNS — CID 116965575

IUPAC2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
SMILESClCCc1nc(C2CCC2)cs1
InChIInChI=1S/C9H12ClNS/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-5H2
InChIKeyABMQZBVQAGPMSP-UHFFFAOYSA-N
MW201.72 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole

2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole (PubChem CID 116965575) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
PubChem CID116965575
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
SMILESClCCc1nc(C2CCC2)cs1
InChIInChI=1S/C9H12ClNS/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-5H2
InChIKeyABMQZBVQAGPMSP-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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

2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
4-cyclobutyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 115041796
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
4-(4-cyclobutyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968718
1-(4-cyclopentyl-1,3-thiazol-2-yl)-N,2-dimethylpropan-2-amine
CID 116968800

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole?
The IUPAC name of 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole (CID 116965575) is 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole is ClCCc1nc(C2CCC2)cs1.
What is the InChIKey of 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole?
The InChIKey is ABMQZBVQAGPMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-5H2.
What are the key properties of 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole?
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole has a molecular weight of 201.72 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole is sourced from PubChem (CID 116965575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).