N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide

C14H14N2OS2 — CID 62311231

IUPACN-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(C(N)=S)c2)s1
InChIInChI=1S/C14H14N2OS2/c1-9-5-6-12(19-9)14(17)16-8-10-3-2-4-11(7-10)13(15)18/h2-7H,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyBEYABVRCPPXWJU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.62
Rot. Bonds4

About N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide

N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 62311231) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID62311231
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC NameN-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc(C(N)=S)c2)s1
InChIInChI=1S/C14H14N2OS2/c1-9-5-6-12(19-9)14(17)16-8-10-3-2-4-11(7-10)13(15)18/h2-7H,8H2,1H3,(H2,15,18)(H,16,17)
InChIKeyBEYABVRCPPXWJU-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.62
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-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
4,5-dibromo-N-[(3-carbamothioylphenyl)methyl]thiophene-2-carboxamide
CID 80536329
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
1-[(3-carbamothioylphenyl)methyl]-3-ethylurea
CID 62311819
N-[(3-carbamothioylphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 62311046
N-[(3-carbamothioylphenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481451
N-[(3-carbamothioylphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65153334
N-[(3-carbamothioylphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66156353
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354
N-[(3-carbamothioylphenyl)methyl]pyridine-3-carboxamide
CID 62311611
N-[(3-carbamothioylphenyl)methyl]-5-ethylfuran-2-carboxamide
CID 79095103
N-[(3-carbamothioylphenyl)methyl]-2-methoxybenzamide
CID 62311612

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide (CID 62311231) is N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cccc(C(N)=S)c2)s1.
What is the InChIKey of N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is BEYABVRCPPXWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-9-5-6-12(19-9)14(17)16-8-10-3-2-4-11(7-10)13(15)18/h2-7H,8H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide?
N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamothioylphenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 62311231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).