N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H22N2S2 — CID 106849418

IUPACN-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(SCC)cc2)s1
InChIInChI=1S/C16H22N2S2/c1-4-10-17-12(3)15-11-18-16(20-15)13-6-8-14(9-7-13)19-5-2/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyJULWTOADXZOCCI-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.98
Rot. Bonds7

About N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106849418) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106849418
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC NameN-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(SCC)cc2)s1
InChIInChI=1S/C16H22N2S2/c1-4-10-17-12(3)15-11-18-16(20-15)13-6-8-14(9-7-13)19-5-2/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeyJULWTOADXZOCCI-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106849418) is N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2ccc(SCC)cc2)s1.
What is the InChIKey of N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is JULWTOADXZOCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-4-10-17-12(3)15-11-18-16(20-15)13-6-8-14(9-7-13)19-5-2/h6-9,11-12,17H,4-5,10H2,1-3H3.
What are the key properties of N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 306.50 g/mol, XLogP of 4.98, 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-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106849418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).