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

C10H14ClNS — CID 116968630

IUPAC2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
SMILESClCCCc1nc(C2CCC2)cs1
InChIInChI=1S/C10H14ClNS/c11-6-2-5-10-12-9(7-13-10)8-3-1-4-8/h7-8H,1-6H2
InChIKeyVQGJBAICEPUHTM-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.58
Rot. Bonds4

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

2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole (PubChem CID 116968630) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
PubChem CID116968630
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
SMILESClCCCc1nc(C2CCC2)cs1
InChIInChI=1S/C10H14ClNS/c11-6-2-5-10-12-9(7-13-10)8-3-1-4-8/h7-8H,1-6H2
InChIKeyVQGJBAICEPUHTM-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
3-(4-piperidin-3-yl-1,3-thiazol-2-yl)propan-1-amine
CID 115035204
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole?
The IUPAC name of 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole (CID 116968630) is 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole is ClCCCc1nc(C2CCC2)cs1.
What is the InChIKey of 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole?
The InChIKey is VQGJBAICEPUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c11-6-2-5-10-12-9(7-13-10)8-3-1-4-8/h7-8H,1-6H2.
What are the key properties of 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole?
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole has a molecular weight of 215.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole is sourced from PubChem (CID 116968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).