4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide

C15H18N2S2 — CID 63292576

IUPAC4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NC(C)Cc2cccs2)c1
InChIInChI=1S/C15H18N2S2/c1-10-5-6-13(15(16)18)14(8-10)17-11(2)9-12-4-3-7-19-12/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyFTAYSWWUHFHBMK-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.73
Rot. Bonds5

About 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide

4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide (PubChem CID 63292576) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide.

Molecular Properties

Compound Name4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
PubChem CID63292576
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(NC(C)Cc2cccs2)c1
InChIInChI=1S/C15H18N2S2/c1-10-5-6-13(15(16)18)14(8-10)17-11(2)9-12-4-3-7-19-12/h3-8,11,17H,9H2,1-2H3,(H2,16,18)
InChIKeyFTAYSWWUHFHBMK-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 82804851
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
2-[1-(furan-2-yl)ethylamino]-4-methylbenzenecarbothioamide
CID 55057358
4-methyl-2-(3-methylpentan-2-ylamino)benzenecarbothioamide
CID 62302433
4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
CID 81297363
4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]benzenecarbothioamide
CID 62301253
4-fluoro-5-methyl-1-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,2-diamine
CID 103590392
2-chloro-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 115554957
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107928719
3-amino-N,N-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)benzamide
CID 82990505
2-(hexan-3-ylamino)-4-methylbenzenecarbothioamide
CID 62303796
1-[2-amino-4-(1-thiophen-2-ylpropan-2-ylamino)phenyl]ethanone
CID 104528838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide?
The IUPAC name of 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide (CID 63292576) is 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide.
What is the SMILES notation for 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide?
The canonical SMILES for 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide is Cc1ccc(C(N)=S)c(NC(C)Cc2cccs2)c1.
What is the InChIKey of 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide?
The InChIKey is FTAYSWWUHFHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-10-5-6-13(15(16)18)14(8-10)17-11(2)9-12-4-3-7-19-12/h3-8,11,17H,9H2,1-2H3,(H2,16,18).
What are the key properties of 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide?
4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide has a molecular weight of 290.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide is sourced from PubChem (CID 63292576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).