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

C15H11ClFNS2 — CID 28709886

IUPAC5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
SMILESFc1ccccc1-c1nc(-c2cccs2)c(CCCl)s1
InChIInChI=1S/C15H11ClFNS2/c16-8-7-13-14(12-6-3-9-19-12)18-15(20-13)10-4-1-2-5-11(10)17/h1-6,9H,7-8H2
InChIKeySSHXPDNTPQODRN-UHFFFAOYSA-N
MW323.84 g/mol
LogP5.46
Rot. Bonds4

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

5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 28709886) has the molecular formula C15H11ClFNS2 and a molecular weight of 323.84 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID28709886
Molecular FormulaC15H11ClFNS2
Molecular Weight323.84 g/mol
Exact Mass323.00
IUPAC Name5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
SMILESFc1ccccc1-c1nc(-c2cccs2)c(CCCl)s1
InChIInChI=1S/C15H11ClFNS2/c16-8-7-13-14(12-6-3-9-19-12)18-15(20-13)10-4-1-2-5-11(10)17/h1-6,9H,7-8H2
InChIKeySSHXPDNTPQODRN-UHFFFAOYSA-N
XLogP5.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.84
LogP ≤ 55.46
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)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
CID 28709914
5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 142647622
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
CID 28709866
4-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole
CID 67669491
5-(2-fluorophenyl)-3-thiophen-2-yl-1,2-oxazole
CID 99964161
N-[[2-(2-fluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364657
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
N-[2-(2-fluorophenyl)ethyl]-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995799

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole (CID 28709886) is 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole is Fc1ccccc1-c1nc(-c2cccs2)c(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is SSHXPDNTPQODRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNS2/c16-8-7-13-14(12-6-3-9-19-12)18-15(20-13)10-4-1-2-5-11(10)17/h1-6,9H,7-8H2.
What are the key properties of 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole?
5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 323.84 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 28709886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).