1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C6H9FN2S — CID 84764244

IUPAC1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CF)n1
InChIInChI=1S/C6H9FN2S/c1-8-3-5-4-10-6(2-7)9-5/h4,8H,2-3H2,1H3
InChIKeyXUVANYSMPZLBDM-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.33
Rot. Bonds3

About 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 84764244) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID84764244
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(CF)n1
InChIInChI=1S/C6H9FN2S/c1-8-3-5-4-10-6(2-7)9-5/h4,8H,2-3H2,1H3
InChIKeyXUVANYSMPZLBDM-UHFFFAOYSA-N
XLogP1.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152
1-[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66051369
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115087985
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
N-methyl-1-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61280489
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088136
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
1-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 66142930
tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid
CID 66891534
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 84764244) is 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(CF)n1.
What is the InChIKey of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is XUVANYSMPZLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-8-3-5-4-10-6(2-7)9-5/h4,8H,2-3H2,1H3.
What are the key properties of 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 160.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 84764244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).