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

C14H15FN2OS — CID 81304184

IUPACN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ncc(CNC3CC3)s2)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-18-10-4-5-12(13(15)6-10)14-17-8-11(19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyWFWXVPVLSNCKBG-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.21
Rot. Bonds5

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

N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 81304184) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID81304184
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC NameN-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ncc(CNC3CC3)s2)c(F)c1
InChIInChI=1S/C14H15FN2OS/c1-18-10-4-5-12(13(15)6-10)14-17-8-11(19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3
InChIKeyWFWXVPVLSNCKBG-UHFFFAOYSA-N
XLogP3.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63632375
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 102885629
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
1-[2-(2-bromo-5-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114078190
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
N-[[2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82422546
5-[(cyclopropylamino)methyl]-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753772

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 81304184) is N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is COc1ccc(-c2ncc(CNC3CC3)s2)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is WFWXVPVLSNCKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-18-10-4-5-12(13(15)6-10)14-17-8-11(19-14)7-16-9-2-3-9/h4-6,8-9,16H,2-3,7H2,1H3.
What are the key properties of N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 278.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81304184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).