5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole

C15H12ClNS2 — CID 28709914

IUPAC5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
SMILESClCCc1sc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C15H12ClNS2/c16-9-8-12-14(11-5-2-1-3-6-11)17-15(19-12)13-7-4-10-18-13/h1-7,10H,8-9H2
InChIKeyXBYQMOWYZKHUPY-UHFFFAOYSA-N
MW305.86 g/mol
LogP5.32
Rot. Bonds4

About 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole

5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole (PubChem CID 28709914) has the molecular formula C15H12ClNS2 and a molecular weight of 305.86 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
PubChem CID28709914
Molecular FormulaC15H12ClNS2
Molecular Weight305.86 g/mol
Exact Mass305.01
IUPAC Name5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
SMILESClCCc1sc(-c2cccs2)nc1-c1ccccc1
InChIInChI=1S/C15H12ClNS2/c16-9-8-12-14(11-5-2-1-3-6-11)17-15(19-12)13-7-4-10-18-13/h1-7,10H,8-9H2
InChIKeyXBYQMOWYZKHUPY-UHFFFAOYSA-N
XLogP5.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.86
LogP ≤ 55.32
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

5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881
5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
CID 28709886
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine
CID 71085790
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
CID 28709866
5-butyl-2,4-diphenyl-1,3-thiazole
CID 58626562
2-(4-phenyl-2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 79786144
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
5-(chloromethyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 28709905
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole (CID 28709914) is 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole is ClCCc1sc(-c2cccs2)nc1-c1ccccc1.
What is the InChIKey of 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is XBYQMOWYZKHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS2/c16-9-8-12-14(11-5-2-1-3-6-11)17-15(19-12)13-7-4-10-18-13/h1-7,10H,8-9H2.
What are the key properties of 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole?
5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 305.86 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 28709914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).