4-(chloromethyl)-2-cyclopropyl-1,3-thiazole

C7H8ClNS — CID 18071423

IUPAC4-(chloromethyl)-2-cyclopropyl-1,3-thiazole
SMILESClCc1csc(C2CC2)n1
InChIInChI=1S/C7H8ClNS/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-3H2
InChIKeyFHFDCVQKFCNASK-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.76
Rot. Bonds2

About 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole

4-(chloromethyl)-2-cyclopropyl-1,3-thiazole (PubChem CID 18071423) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-cyclopropyl-1,3-thiazole
PubChem CID18071423
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name4-(chloromethyl)-2-cyclopropyl-1,3-thiazole
SMILESClCc1csc(C2CC2)n1
InChIInChI=1S/C7H8ClNS/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-3H2
InChIKeyFHFDCVQKFCNASK-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole (CID 18071423) is 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole is ClCc1csc(C2CC2)n1.
What is the InChIKey of 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole?
The InChIKey is FHFDCVQKFCNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c8-3-6-4-10-7(9-6)5-1-2-5/h4-5H,1-3H2.
What are the key properties of 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole?
4-(chloromethyl)-2-cyclopropyl-1,3-thiazole has a molecular weight of 173.67 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-cyclopropyl-1,3-thiazole is sourced from PubChem (CID 18071423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).