5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide

C15H18N2S2 — CID 107928719

IUPAC5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
SMILESCCC(Nc1ccc(C)cc1C(N)=S)c1cccs1
InChIInChI=1S/C15H18N2S2/c1-3-12(14-5-4-8-19-14)17-13-7-6-10(2)9-11(13)15(16)18/h4-9,12,17H,3H2,1-2H3,(H2,16,18)
InChIKeySQDVLWZOTZRCRV-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.25
Rot. Bonds5

About 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide

5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide (PubChem CID 107928719) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide.

Molecular Properties

Compound Name5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
PubChem CID107928719
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
SMILESCCC(Nc1ccc(C)cc1C(N)=S)c1cccs1
InChIInChI=1S/C15H18N2S2/c1-3-12(14-5-4-8-19-14)17-13-7-6-10(2)9-11(13)15(16)18/h4-9,12,17H,3H2,1-2H3,(H2,16,18)
InChIKeySQDVLWZOTZRCRV-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

4-bromo-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 114902958
2-bromo-3-fluoro-4-(1-thiophen-2-ylpropylamino)benzenecarbothioamide
CID 107534858
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
2-(difluoromethyl)-1-N-(1-thiophen-2-ylpropyl)benzene-1,4-diamine
CID 63734094
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
2-(ethylamino)-5-methylbenzenecarbothioamide
CID 107928326
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
2-(heptan-2-ylamino)-5-methylbenzenecarbothioamide
CID 114017059
4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 63292576
3-amino-N-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 82988987
2-bromo-4-chloro-N-(1-thiophen-2-ylpropyl)aniline
CID 81264228
4-bromo-2-N-(1-thiophen-2-ylpropyl)benzene-1,2-diamine
CID 65343285

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide?
The IUPAC name of 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide (CID 107928719) is 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide.
What is the SMILES notation for 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide?
The canonical SMILES for 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide is CCC(Nc1ccc(C)cc1C(N)=S)c1cccs1.
What is the InChIKey of 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide?
The InChIKey is SQDVLWZOTZRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-3-12(14-5-4-8-19-14)17-13-7-6-10(2)9-11(13)15(16)18/h4-9,12,17H,3H2,1-2H3,(H2,16,18).
What are the key properties of 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide?
5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide has a molecular weight of 290.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-thiophen-2-ylpropylamino)benzenecarbothioamide is sourced from PubChem (CID 107928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).