2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide

C15H18N2S2 — CID 81276573

IUPAC2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
SMILESCc1cc(N(C)C(C)c2cccs2)ccc1C(N)=S
InChIInChI=1S/C15H18N2S2/c1-10-9-12(6-7-13(10)15(16)18)17(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H2,16,18)
InChIKeyPEJQLBASTFYRJU-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide

2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide (PubChem CID 81276573) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
PubChem CID81276573
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
SMILESCc1cc(N(C)C(C)c2cccs2)ccc1C(N)=S
InChIInChI=1S/C15H18N2S2/c1-10-9-12(6-7-13(10)15(16)18)17(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H2,16,18)
InChIKeyPEJQLBASTFYRJU-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 54980639
4-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269946
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269942
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79600580
2-methyl-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzenecarboximidamide
CID 81275974
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
2-methyl-4-[methyl(1-methylsulfanylbutan-2-yl)amino]benzenecarbothioamide
CID 112659771
4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63794024
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The IUPAC name of 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide (CID 81276573) is 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide.
What is the SMILES notation for 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The canonical SMILES for 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide is Cc1cc(N(C)C(C)c2cccs2)ccc1C(N)=S.
What is the InChIKey of 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The InChIKey is PEJQLBASTFYRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-10-9-12(6-7-13(10)15(16)18)17(3)11(2)14-5-4-8-19-14/h4-9,11H,1-3H3,(H2,16,18).
What are the key properties of 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide has a molecular weight of 290.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide is sourced from PubChem (CID 81276573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).