N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide

C14H14N2O3S — CID 1344884

IUPACN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCc1cc(O)c(NC(=S)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H14N2O3S/c1-8-6-10(11(17)7-9(8)2)15-14(20)16-13(18)12-4-3-5-19-12/h3-7,17H,1-2H3,(H2,15,16,18,20)
InChIKeyNPHZPEXOFAQXIW-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.73
Rot. Bonds2

About N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide

N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 1344884) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID1344884
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide
SMILESCc1cc(O)c(NC(=S)NC(=O)c2ccco2)cc1C
InChIInChI=1S/C14H14N2O3S/c1-8-6-10(11(17)7-9(8)2)15-14(20)16-13(18)12-4-3-5-19-12/h3-7,17H,1-2H3,(H2,15,16,18,20)
InChIKeyNPHZPEXOFAQXIW-UHFFFAOYSA-N
XLogP2.73
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide
CID 2235526
(E)-3-(furan-2-yl)-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]prop-2-enamide
CID 884035
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 4631697
N-[(2,3-dichlorophenyl)carbamothioyl]furan-2-carboxamide
CID 952249
5-(furan-2-carbonylcarbamothioylamino)-2-hydroxy-3-methylbenzoic acid
CID 28687597
N-[(2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 1125144
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]acetamide
CID 17099992
N-[(2-carbamoylphenyl)carbamothioyl]furan-2-carboxamide
CID 801553
N-[(4-bromo-2-iodophenyl)carbamothioyl]furan-2-carboxamide
CID 3322322
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-[[5-(furan-2-carbonylamino)-2-methylphenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 17098783
5-bromo-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1345965

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide (CID 1344884) is N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide is Cc1cc(O)c(NC(=S)NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is NPHZPEXOFAQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-6-10(11(17)7-9(8)2)15-14(20)16-13(18)12-4-3-5-19-12/h3-7,17H,1-2H3,(H2,15,16,18,20).
What are the key properties of N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide?
N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 1344884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).