N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide

C14H14N2OS2 — CID 79802377

IUPACN-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cscc1C
InChIInChI=1S/C14H14N2OS2/c1-8-3-4-10(13(15)18)5-12(8)16-14(17)11-7-19-6-9(11)2/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLLBBZBAZDQWFLP-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds3

About N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide

N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide (PubChem CID 79802377) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
PubChem CID79802377
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide
SMILESCc1ccc(C(N)=S)cc1NC(=O)c1cscc1C
InChIInChI=1S/C14H14N2OS2/c1-8-3-4-10(13(15)18)5-12(8)16-14(17)11-7-19-6-9(11)2/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyLLBBZBAZDQWFLP-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.25
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

N-(4-carbamothioyl-2-chlorophenyl)-4-methylthiophene-3-carboxamide
CID 107808571
N-(5-carbamothioyl-2-methylphenyl)-2-methylbenzamide
CID 62103338
N-(5-carbamothioyl-2-methylphenyl)-2,3-dimethylbenzamide
CID 62105375
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-4-hydroxybenzamide
CID 107676026
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-5-methylbenzamide
CID 62515366
N-(5-carbamothioyl-2-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65238953
3-bromo-N-(5-carbamothioyl-2-methylphenyl)-5-chlorobenzamide
CID 107938969
N-(5-carbamothioyl-2-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107014898
N-(2-fluoro-4-hydroxyphenyl)-4-methylthiophene-3-carboxamide
CID 79808290
1-(5-carbamothioyl-2-methylphenyl)-3-(4-chlorophenyl)urea
CID 62103362

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide (CID 79802377) is N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide is Cc1ccc(C(N)=S)cc1NC(=O)c1cscc1C.
What is the InChIKey of N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide?
The InChIKey is LLBBZBAZDQWFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-8-3-4-10(13(15)18)5-12(8)16-14(17)11-7-19-6-9(11)2/h3-7H,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide?
N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamothioyl-2-methylphenyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79802377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).