N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine

C16H22N2OS — CID 64542673

IUPACN-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-11-20-16(18-15)10-13-5-7-14(19-3)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyBASODQOQATYLNU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.80
Rot. Bonds7

About N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine

N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 64542673) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID64542673
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-11-20-16(18-15)10-13-5-7-14(19-3)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3
InChIKeyBASODQOQATYLNU-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544898
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
1-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 64543267
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 104817796
2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089202
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544101

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 64542673) is N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(Cc2ccc(OC)cc2)n1.
What is the InChIKey of N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is BASODQOQATYLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-11-20-16(18-15)10-13-5-7-14(19-3)8-6-13/h5-8,11-12,17H,4,9-10H2,1-3H3.
What are the key properties of N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64542673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).