[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine

C12H11F3N2OS — CID 114361705

IUPAC[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2cc(F)c(F)c(F)c2)sc1CN
InChIInChI=1S/C12H11F3N2OS/c1-18-5-9-10(4-16)19-12(17-9)6-2-7(13)11(15)8(14)3-6/h2-3H,4-5,16H2,1H3
InChIKeyKYLBXHCXRZAPEC-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.83
Rot. Bonds4

About [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine

[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361705) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361705
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC Name[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(-c2cc(F)c(F)c(F)c2)sc1CN
InChIInChI=1S/C12H11F3N2OS/c1-18-5-9-10(4-16)19-12(17-9)6-2-7(13)11(15)8(14)3-6/h2-3H,4-5,16H2,1H3
InChIKeyKYLBXHCXRZAPEC-UHFFFAOYSA-N
XLogP2.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361662
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
[2-(2-bromo-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114015463
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440089
[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361600
[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 114361753
1-[4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106849687
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189
[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
N-[[2-(3-bromo-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366443

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 114361705) is [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(-c2cc(F)c(F)c(F)c2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KYLBXHCXRZAPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-18-5-9-10(4-16)19-12(17-9)6-2-7(13)11(15)8(14)3-6/h2-3H,4-5,16H2,1H3.
What are the key properties of [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 288.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).