[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine

C6H9FN2S — CID 135163593

IUPAC[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(CF)c(CN)s1
InChIInChI=1S/C6H9FN2S/c1-4-9-5(2-7)6(3-8)10-4/h2-3,8H2,1H3
InChIKeyFGJXCCGMAGCIFA-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.38
Rot. Bonds2

About [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine

[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 135163593) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID135163593
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(CF)c(CN)s1
InChIInChI=1S/C6H9FN2S/c1-4-9-5(2-7)6(3-8)10-4/h2-3,8H2,1H3
InChIKeyFGJXCCGMAGCIFA-UHFFFAOYSA-N
XLogP1.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine (CID 135163593) is [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(CF)c(CN)s1.
What is the InChIKey of [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is FGJXCCGMAGCIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-4-9-5(2-7)6(3-8)10-4/h2-3,8H2,1H3.
What are the key properties of [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
[4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 160.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-2-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 135163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).