N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C15H20N2OS — CID 62651552

IUPACN-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cccc(OC)c2)s1
InChIInChI=1S/C15H20N2OS/c1-4-8-16-11(2)14-10-17-15(19-14)12-6-5-7-13(9-12)18-3/h5-7,9-11,16H,4,8H2,1-3H3
InChIKeySNSIXVXVDYPDIN-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.88
Rot. Bonds6

About N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62651552) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62651552
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cccc(OC)c2)s1
InChIInChI=1S/C15H20N2OS/c1-4-8-16-11(2)14-10-17-15(19-14)12-6-5-7-13(9-12)18-3/h5-7,9-11,16H,4,8H2,1-3H3
InChIKeySNSIXVXVDYPDIN-UHFFFAOYSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651370
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 63095112
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653364
N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106849418
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79980515
1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 65022560
cyclopenta-1,4-dien-1-yl-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 91928076
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
N-[1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653753
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66161070

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62651552) is N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2cccc(OC)c2)s1.
What is the InChIKey of N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is SNSIXVXVDYPDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-8-16-11(2)14-10-17-15(19-14)12-6-5-7-13(9-12)18-3/h5-7,9-11,16H,4,8H2,1-3H3.
What are the key properties of N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 276.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62651552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).