N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H19FN2OS — CID 114366687

IUPACN-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(-c2ccc(F)c(C)c2)sc1CNC1CC1
InChIInChI=1S/C16H19FN2OS/c1-10-7-11(3-6-13(10)17)16-19-14(9-20-2)15(21-16)8-18-12-4-5-12/h3,6-7,12,18H,4-5,8-9H2,1-2H3
InChIKeyDXYBIYCUOZADJO-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.66
Rot. Bonds6

About N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114366687) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114366687
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOCc1nc(-c2ccc(F)c(C)c2)sc1CNC1CC1
InChIInChI=1S/C16H19FN2OS/c1-10-7-11(3-6-13(10)17)16-19-14(9-20-2)15(21-16)8-18-12-4-5-12/h3,6-7,12,18H,4-5,8-9H2,1-2H3
InChIKeyDXYBIYCUOZADJO-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440020
N-[[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366514
[2-(3-fluoro-4-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361662
N-[[2-(3-bromo-4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366443
N-[[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107932024
N-[[4-(methoxymethyl)-2-thiophen-2-yl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82441318
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[[2-cyclopropyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82440818
N-[[4-cyclopropyl-2-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367361
1-[2-(3-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366087
N-[[2-(4-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366189

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114366687) is N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COCc1nc(-c2ccc(F)c(C)c2)sc1CNC1CC1.
What is the InChIKey of N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DXYBIYCUOZADJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-10-7-11(3-6-13(10)17)16-19-14(9-20-2)15(21-16)8-18-12-4-5-12/h3,6-7,12,18H,4-5,8-9H2,1-2H3.
What are the key properties of N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 306.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methylphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114366687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).