4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole

C8H6ClNS2 — CID 602107

IUPAC4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESClCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H6ClNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2
InChIKeyAPIQUDKCQIGCKQ-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.61
Rot. Bonds2

About 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole

4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 602107) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID602107
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESClCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H6ClNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2
InChIKeyAPIQUDKCQIGCKQ-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole (CID 602107) is 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole is ClCc1csc(-c2ccsc2)n1.
What is the InChIKey of 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is APIQUDKCQIGCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2.
What are the key properties of 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole?
4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 215.73 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 602107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).