N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

C16H19FN2OS — CID 115953673

IUPACN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1nc(COc2c(F)cccc2CNC2CC2)sc1C
InChIInChI=1S/C16H19FN2OS/c1-10-11(2)21-15(19-10)9-20-16-12(4-3-5-14(16)17)8-18-13-6-7-13/h3-5,13,18H,6-9H2,1-2H3
InChIKeyLHLJGMKOAZJIBN-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine

N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 115953673) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID115953673
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESCc1nc(COc2c(F)cccc2CNC2CC2)sc1C
InChIInChI=1S/C16H19FN2OS/c1-10-11(2)21-15(19-10)9-20-16-12(4-3-5-14(16)17)8-18-13-6-7-13/h3-5,13,18H,6-9H2,1-2H3
InChIKeyLHLJGMKOAZJIBN-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953557
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953616
1-[3-chloro-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608679
N-[[2-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 115953688
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[[3-fluoro-2-(2-propoxyethoxy)phenyl]methyl]cyclopropanamine
CID 106450602
3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propane-1,2-diol
CID 112609791
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953912
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine (CID 115953673) is N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is Cc1nc(COc2c(F)cccc2CNC2CC2)sc1C.
What is the InChIKey of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is LHLJGMKOAZJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-10-11(2)21-15(19-10)9-20-16-12(4-3-5-14(16)17)8-18-13-6-7-13/h3-5,13,18H,6-9H2,1-2H3.
What are the key properties of N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine?
N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 306.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).