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

C8H6ClNS2 — CID 736496

IUPAC4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESClCc1csc(-c2cccs2)n1
InChIInChI=1S/C8H6ClNS2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2
InChIKeyCGJJBHKYGNSTDK-UHFFFAOYSA-N
MW215.73 g/mol
LogP3.61
Rot. Bonds2

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

4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 736496) has the molecular formula C8H6ClNS2 and a molecular weight of 215.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID736496
Molecular FormulaC8H6ClNS2
Molecular Weight215.73 g/mol
Exact Mass214.96
IUPAC Name4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESClCc1csc(-c2cccs2)n1
InChIInChI=1S/C8H6ClNS2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2
InChIKeyCGJJBHKYGNSTDK-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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Related Compounds

4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
2-(2-Thienyl)-4-thiazolemethanamine
CID 2776321
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}thiomorpholine
CID 2813472
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
2,4-Dithiophen-2-ylthiazole
CID 2546578
4-(Chloromethyl)-2-(thiophen-3-yl)-1,3-thiazole
CID 602107
5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl Chloride
CID 2736979
5-Fluoro-2-thiophen-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 14468831
2-(2-Thienyl)-4-(trifluoromethyl)thiazole
CID 116891696
(2-Thiophen-2-yl-1,3-thiazol-4-yl)methylazanium
CID 6932043
2-Methyl-4-(2-thienyl)-1,3-thiazole
CID 735733
2-(4-(Thiophen-2-yl)thiazol-2-yl)acetonitrile
CID 1095923

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole (CID 736496) is 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole is ClCc1csc(-c2cccs2)n1.
What is the InChIKey of 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is CGJJBHKYGNSTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNS2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4H2.
What are the key properties of 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole?
4-(chloromethyl)-2-thiophen-2-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-2-yl-1,3-thiazole is sourced from PubChem (CID 736496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).