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

C14H16N2S2 — CID 54980639

IUPAC4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
SMILESCC(c1cccs1)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H16N2S2/c1-10(13-4-3-9-18-13)16(2)12-7-5-11(6-8-12)14(15)17/h3-10H,1-2H3,(H2,15,17)
InChIKeyRYSXOIQTPLTOGP-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.58
Rot. Bonds4

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

4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide (PubChem CID 54980639) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
PubChem CID54980639
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
SMILESCC(c1cccs1)N(C)c1ccc(C(N)=S)cc1
InChIInChI=1S/C14H16N2S2/c1-10(13-4-3-9-18-13)16(2)12-7-5-11(6-8-12)14(15)17/h3-10H,1-2H3,(H2,15,17)
InChIKeyRYSXOIQTPLTOGP-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.58
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

2-methyl-4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide
CID 81276573
4-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 63794024
4-[methyl(1-thiophen-2-ylethyl)amino]benzonitrile
CID 54981198
4-[3,3-dimethylbutan-2-yl(methyl)amino]benzenecarbothioamide
CID 55009342
(1R)-1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131618
1-[5-[methyl(1-thiophen-2-ylethyl)amino]-2-pyridinyl]ethanol
CID 83131534
2-methoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 55234561
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79600580
4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzamide
CID 42926219
N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-2H-benzotriazole-5-carboxamide
CID 31620123
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 63675312
N-methyl-4-sulfanyl-N-(1-thiophen-2-ylethyl)benzamide
CID 107025969

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The IUPAC name of 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide (CID 54980639) is 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide is CC(c1cccs1)N(C)c1ccc(C(N)=S)cc1.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
The InChIKey is RYSXOIQTPLTOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-10(13-4-3-9-18-13)16(2)12-7-5-11(6-8-12)14(15)17/h3-10H,1-2H3,(H2,15,17).
What are the key properties of 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide?
4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide has a molecular weight of 276.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylethyl)amino]benzenecarbothioamide is sourced from PubChem (CID 54980639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).