N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide

C12H10N2O2S2 — CID 738992

IUPACN-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cccs1
InChIInChI=1S/C12H10N2O2S2/c15-9-5-2-1-4-8(9)13-12(17)14-11(16)10-6-3-7-18-10/h1-7,15H,(H2,13,14,16,17)
InChIKeyDLQJCCWCQOZSHB-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.58
Rot. Bonds2

About N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 738992) has the molecular formula C12H10N2O2S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID738992
Molecular FormulaC12H10N2O2S2
Molecular Weight278.36 g/mol
Exact Mass278.02
IUPAC NameN-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1cccs1
InChIInChI=1S/C12H10N2O2S2/c15-9-5-2-1-4-8(9)13-12(17)14-11(16)10-6-3-7-18-10/h1-7,15H,(H2,13,14,16,17)
InChIKeyDLQJCCWCQOZSHB-UHFFFAOYSA-N
XLogP2.58
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.58
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'}

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Related Compounds

N-[4-(4-hydroxyphenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
CID 2408596
5-(2,2-dimethylpropanoylamino)-N-(2-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 17392362
(E)-N-[(2-methoxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1226902
N-(2-Hydroxy-5-methylphenyl)-2-thiophenecarboxamide
CID 1073867
N-(2-Hydroxyphenyl)-2-thiophenecarboxamide
CID 772142
N-(4-hydroxyphenyl)thiophene-2-carboxamide
CID 3506103
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2893531
N-{[2-(difluoromethoxy)phenyl]carbamothioyl}thiophene-2-carboxamide
CID 977704
1-(2-Hydroxy-5-nitrophenyl)-3-[(2E)-3-(thiophen-2-YL)prop-2-enoyl]thiourea
CID 5768785
1-(4-Methoxyphenyl)-3-(thiophene-2-carbonyl)thiourea
CID 748334
N-(2-hydroxyphenyl)-2-(2-thienyl)acetamide
CID 837925
N-(2-hydroxyphenyl)-N'-[3-(2-thienyl)acryloyl]thiourea
CID 922886

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide (CID 738992) is N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)Nc1ccccc1O)c1cccs1.
What is the InChIKey of N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is DLQJCCWCQOZSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S2/c15-9-5-2-1-4-8(9)13-12(17)14-11(16)10-6-3-7-18-10/h1-7,15H,(H2,13,14,16,17).
What are the key properties of N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 738992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).