1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

C16H22N2OS — CID 115979174

IUPAC1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1ccc(OC)cc1)Cc1cncs1
InChIInChI=1S/C16H22N2OS/c1-3-8-18-14(10-16-11-17-12-20-16)9-13-4-6-15(19-2)7-5-13/h4-7,11-12,14,18H,3,8-10H2,1-2H3
InChIKeySURBBRHZYXNFLY-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.31
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 115979174) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID115979174
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1ccc(OC)cc1)Cc1cncs1
InChIInChI=1S/C16H22N2OS/c1-3-8-18-14(10-16-11-17-12-20-16)9-13-4-6-15(19-2)7-5-13/h4-7,11-12,14,18H,3,8-10H2,1-2H3
InChIKeySURBBRHZYXNFLY-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
5-methoxy-N-propyl-1-(1,3-thiazol-5-yl)pentan-2-amine
CID 112643106
1-(3-fluorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642847
2-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645241
N-propyl-1-pyridin-2-yl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642797
1-propan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643118
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
1-(3-chlorophenoxy)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105177967
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
1-butan-2-ylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643130
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 115979174) is 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(Cc1ccc(OC)cc1)Cc1cncs1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is SURBBRHZYXNFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-8-18-14(10-16-11-17-12-20-16)9-13-4-6-15(19-2)7-5-13/h4-7,11-12,14,18H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 115979174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).