4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine

C10H9FN2S — CID 58046583

IUPAC4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N)n2)c(F)c1
InChIInChI=1S/C10H9FN2S/c1-6-2-3-7(8(11)4-6)9-5-14-10(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyKHLSTMMLWIKGCQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.84
Rot. Bonds1

About 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine

4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 58046583) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID58046583
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N)n2)c(F)c1
InChIInChI=1S/C10H9FN2S/c1-6-2-3-7(8(11)4-6)9-5-14-10(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKeyKHLSTMMLWIKGCQ-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (CID 58046583) is 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N)n2)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KHLSTMMLWIKGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-6-2-3-7(8(11)4-6)9-5-14-10(12)13-9/h2-5H,1H3,(H2,12,13).
What are the key properties of 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 208.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58046583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).