2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C14H16N2S2 — CID 64992944

IUPAC2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESC=CCSc1ccccc1NC(C)c1nccs1
InChIInChI=1S/C14H16N2S2/c1-3-9-17-13-7-5-4-6-12(13)16-11(2)14-15-8-10-18-14/h3-8,10-11,16H,1,9H2,2H3
InChIKeyDBIKIDFUBIPSNC-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.59
Rot. Bonds6

About 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64992944) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64992944
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESC=CCSc1ccccc1NC(C)c1nccs1
InChIInChI=1S/C14H16N2S2/c1-3-9-17-13-7-5-4-6-12(13)16-11(2)14-15-8-10-18-14/h3-8,10-11,16H,1,9H2,2H3
InChIKeyDBIKIDFUBIPSNC-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methylthiophen-2-yl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63993459
2-prop-2-enylsulfanyl-N-(1-pyridin-4-ylethyl)aniline
CID 54862461
N-[1-(4-methylphenyl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63448738
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
N-[1-(2-methylphenyl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63448693
N-butan-2-yl-2-prop-2-enylsulfanylaniline
CID 60927744
2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-prop-2-enylsulfanylaniline
CID 65196774
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993290
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64992944) is 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is C=CCSc1ccccc1NC(C)c1nccs1.
What is the InChIKey of 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is DBIKIDFUBIPSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-3-9-17-13-7-5-4-6-12(13)16-11(2)14-15-8-10-18-14/h3-8,10-11,16H,1,9H2,2H3.
What are the key properties of 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 276.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64992944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).