5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine

C10H8ClFN2S — CID 4739224

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN2S/c11-8-4-6(1-2-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyXCLVAYKNTWGKSJ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.11
Rot. Bonds2

About 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine

5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 4739224) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID4739224
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(Cl)c2)s1
InChIInChI=1S/C10H8ClFN2S/c11-8-4-6(1-2-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyXCLVAYKNTWGKSJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 4739224) is 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(F)c(Cl)c2)s1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XCLVAYKNTWGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-8-4-6(1-2-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 242.71 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4739224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).