1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

C15H19ClN2O2S — CID 104667097

IUPAC1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCc1cscn1
InChIInChI=1S/C15H19ClN2O2S/c1-3-12(17)5-10-4-11(16)6-14(19-2)15(10)20-7-13-8-21-9-18-13/h4,6,8-9,12H,3,5,7,17H2,1-2H3
InChIKeyDSNIHBXODYRFJL-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.66
Rot. Bonds7

About 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine

1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (PubChem CID 104667097) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
PubChem CID104667097
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCc1cscn1
InChIInChI=1S/C15H19ClN2O2S/c1-3-12(17)5-10-4-11(16)6-14(19-2)15(10)20-7-13-8-21-9-18-13/h4,6,8-9,12H,3,5,7,17H2,1-2H3
InChIKeyDSNIHBXODYRFJL-UHFFFAOYSA-N
XLogP3.66
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dichloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 60907800
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667098
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 106439695
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894
1-[4-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 54930620

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine (CID 104667097) is 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(Cl)cc(OC)c1OCc1cscn1.
What is the InChIKey of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is DSNIHBXODYRFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-3-12(17)5-10-4-11(16)6-14(19-2)15(10)20-7-13-8-21-9-18-13/h4,6,8-9,12H,3,5,7,17H2,1-2H3.
What are the key properties of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine?
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 326.85 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 104667097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).