5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine

C11H10ClFN2S — CID 142647622

IUPAC5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2F)c(CCCl)s1
InChIInChI=1S/C11H10ClFN2S/c12-6-5-9-10(15-11(14)16-9)7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,14,15)
InChIKeyHVQDWAZDYJZWNS-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.31
Rot. Bonds3

About 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine

5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 142647622) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID142647622
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2F)c(CCCl)s1
InChIInChI=1S/C11H10ClFN2S/c12-6-5-9-10(15-11(14)16-9)7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,14,15)
InChIKeyHVQDWAZDYJZWNS-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
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-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
CID 28709886
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
5-cyclopentyl-4-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 82106641
5-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-amine
CID 82106591
4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
CID 62226219
4-cyclopropyl-5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 47003341
5-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 3356434
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
CID 131869939
1-(2-chloroethyl)-3-fluoro-2-(2-fluorophenyl)benzene
CID 54444470

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine (CID 142647622) is 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2F)c(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is HVQDWAZDYJZWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-6-5-9-10(15-11(14)16-9)7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H2,14,15).
What are the key properties of 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine?
5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 256.73 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 142647622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).