N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline

C14H18N2S2 — CID 113373272

IUPACN-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCCSCCCNc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H18N2S2/c1-2-17-9-4-7-15-13-6-3-5-12(11-13)14-16-8-10-18-14/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3
InChIKeyYIHWBTCZLNLZGK-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.37
Rot. Bonds7

About N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline

N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline (PubChem CID 113373272) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline
PubChem CID113373272
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCCSCCCNc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H18N2S2/c1-2-17-9-4-7-15-13-6-3-5-12(11-13)14-16-8-10-18-14/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3
InChIKeyYIHWBTCZLNLZGK-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-fluoro-2-methylphenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103944201
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648
N-[(4-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936182
N-[(3-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936311
N-octyl-4-(1,3-thiazol-2-yl)aniline
CID 63448826
N-(3-ethylsulfanylpropyl)-3-(1,2,4-triazol-4-yl)aniline
CID 113373299
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 103276582
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline (CID 113373272) is N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline is CCSCCCNc1cccc(-c2nccs2)c1.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is YIHWBTCZLNLZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-2-17-9-4-7-15-13-6-3-5-12(11-13)14-16-8-10-18-14/h3,5-6,8,10-11,15H,2,4,7,9H2,1H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline?
N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 278.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 113373272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).