N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

C14H15ClN2OS — CID 82423081

IUPACN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2ncc(CNC3CC3)s2)c1
InChIInChI=1S/C14H15ClN2OS/c15-10-2-1-3-12(6-10)18-9-14-17-8-13(19-14)7-16-11-4-5-11/h1-3,6,8,11,16H,4-5,7,9H2
InChIKeyXDMZNTFFLWEDAV-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.63
Rot. Bonds6

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

N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82423081) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82423081
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESClc1cccc(OCc2ncc(CNC3CC3)s2)c1
InChIInChI=1S/C14H15ClN2OS/c15-10-2-1-3-12(6-10)18-9-14-17-8-13(19-14)7-16-11-4-5-11/h1-3,6,8,11,16H,4-5,7,9H2
InChIKeyXDMZNTFFLWEDAV-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82190975
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62229477
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 39390007
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
N-[[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 103046371
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53271603
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82423081) is N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is Clc1cccc(OCc2ncc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XDMZNTFFLWEDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c15-10-2-1-3-12(6-10)18-9-14-17-8-13(19-14)7-16-11-4-5-11/h1-3,6,8,11,16H,4-5,7,9H2.
What are the key properties of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 294.81 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82423081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).