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

C14H14N2OS2 — CID 107805808

IUPACN-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1C(N)=S
InChIInChI=1S/C14H14N2OS2/c1-8-4-3-5-10(11(8)13(15)18)16-14(17)12-9(2)6-7-19-12/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKJGWBBPRONYCGZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.25
Rot. Bonds3

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

N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 107805808) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID107805808
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1C(N)=S
InChIInChI=1S/C14H14N2OS2/c1-8-4-3-5-10(11(8)13(15)18)16-14(17)12-9(2)6-7-19-12/h3-7H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKJGWBBPRONYCGZ-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-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
CID 107800790
N-(2-carbamothioyl-3-methylphenyl)thiophene-2-carboxamide
CID 107805757
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
(2-carbamothioyl-3-methylphenyl)urea
CID 107798936
N-(2-carbamothioyl-3-methylphenyl)benzamide
CID 107805642
N-(2-carbamothioyl-3-methylphenyl)-3,5-dihydroxybenzamide
CID 107805537
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
N-(2-carbamothioyl-3-fluorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645059
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
N-(2-carbamothioyl-3-methylphenyl)pyridazine-4-carboxamide
CID 107805688

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide (CID 107805808) is N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C)c1C(N)=S.
What is the InChIKey of N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is KJGWBBPRONYCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-8-4-3-5-10(11(8)13(15)18)16-14(17)12-9(2)6-7-19-12/h3-7H,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide?
N-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-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-(2-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 107805808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).