1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

C15H19ClN2OS — CID 115958359

IUPAC1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ncsc1CCOc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H19ClN2OS/c1-10(17)8-12-4-3-5-13(16)15(12)19-7-6-14-11(2)18-9-20-14/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyJBBNVLAFKGOPAL-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.62
Rot. Bonds6

About 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine

1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 115958359) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
PubChem CID115958359
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
SMILESCc1ncsc1CCOc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H19ClN2OS/c1-10(17)8-12-4-3-5-13(16)15(12)19-7-6-14-11(2)18-9-20-14/h3-5,9-10H,6-8,17H2,1-2H3
InChIKeyJBBNVLAFKGOPAL-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
CID 112615652
1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
CID 107009951
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-[[3-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953672
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311
2-[(2-chlorophenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66058492

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine (CID 115958359) is 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is Cc1ncsc1CCOc1c(Cl)cccc1CC(C)N.
What is the InChIKey of 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is JBBNVLAFKGOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(17)8-12-4-3-5-13(16)15(12)19-7-6-14-11(2)18-9-20-14/h3-5,9-10H,6-8,17H2,1-2H3.
What are the key properties of 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine?
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115958359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).