1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea

C14H15N3O3S2 — CID 1496159

IUPAC1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H15N3O3S2/c1-19-9-5-6-10(11(8-9)20-2)15-14(21)17-16-13(18)12-4-3-7-22-12/h3-8H,1-2H3,(H,16,18)(H2,15,17,21)
InChIKeyFFPICOIDDVBDCQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea

1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea (PubChem CID 1496159) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
PubChem CID1496159
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C14H15N3O3S2/c1-19-9-5-6-10(11(8-9)20-2)15-14(21)17-16-13(18)12-4-3-7-22-12/h3-8H,1-2H3,(H,16,18)(H2,15,17,21)
InChIKeyFFPICOIDDVBDCQ-UHFFFAOYSA-N
XLogP2.40
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
1-(3-methoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 8000996
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methylbenzamide
CID 834971
N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 22778332
N-[(2,4-dimethoxyphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 1346793
N-[2-methoxy-4-(naphthalene-2-carbonylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17104933
1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)thiourea
CID 800539
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea (CID 1496159) is 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea is COc1ccc(NC(=S)NNC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
The InChIKey is FFPICOIDDVBDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-19-9-5-6-10(11(8-9)20-2)15-14(21)17-16-13(18)12-4-3-7-22-12/h3-8H,1-2H3,(H,16,18)(H2,15,17,21).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea?
1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea has a molecular weight of 337.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea is sourced from PubChem (CID 1496159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).