1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

C15H19ClN2OS — CID 105177967

IUPAC1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)Cc1cncs1
InChIInChI=1S/C15H19ClN2OS/c1-2-6-18-13(8-15-9-17-11-20-15)10-19-14-5-3-4-12(16)7-14/h3-5,7,9,11,13,18H,2,6,8,10H2,1H3
InChIKeyHKUFXMVJITYHBI-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.79
Rot. Bonds8

About 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 105177967) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID105177967
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(COc1cccc(Cl)c1)Cc1cncs1
InChIInChI=1S/C15H19ClN2OS/c1-2-6-18-13(8-15-9-17-11-20-15)10-19-14-5-3-4-12(16)7-14/h3-5,7,9,11,13,18H,2,6,8,10H2,1H3
InChIKeyHKUFXMVJITYHBI-UHFFFAOYSA-N
XLogP3.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenoxy)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134206
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
N-[2-(3-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107361780
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-(3-chlorophenoxy)-N-propyl-4-thiophen-3-ylbutan-2-amine
CID 105147847
1-(3-chlorophenoxy)-3-ethyl-N-propylpentan-2-amine
CID 105168543
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 105177967) is 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(COc1cccc(Cl)c1)Cc1cncs1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is HKUFXMVJITYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-2-6-18-13(8-15-9-17-11-20-15)10-19-14-5-3-4-12(16)7-14/h3-5,7,9,11,13,18H,2,6,8,10H2,1H3.
What are the key properties of 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 310.85 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 105177967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).