1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea

C14H14N4O2S — CID 944118

IUPAC1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccncc1
InChIInChI=1S/C14H14N4O2S/c1-20-12-5-3-2-4-11(12)16-14(21)18-17-13(19)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyFXLPMAOCVQDSLG-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.72
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea

1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea (PubChem CID 944118) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea
PubChem CID944118
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccncc1
InChIInChI=1S/C14H14N4O2S/c1-20-12-5-3-2-4-11(12)16-14(21)18-17-13(19)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,19)(H2,16,18,21)
InChIKeyFXLPMAOCVQDSLG-UHFFFAOYSA-N
XLogP1.72
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methoxyphenyl)acetyl]amino]carbamothioyl]pyridine-3-carboxamide
CID 2043605
N-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
CID 972336
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpyridine-4-carboxamide
CID 2532614
(E)-N'-[3-(4-Methoxyphenyl)propenoyl]isonicotinohydrazide
CID 25032868
N-(2-methoxyphenyl)isonicotinamide 1-oxide
CID 786463
(E)-3-(4-methoxyphenyl)-N-[(pyridine-3-carbonylamino)carbamothioyl]prop-2-enamide
CID 1933039
N-[(Z)-1-[4-[(4-methoxyphenyl)carbamothioylamino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 44407871
N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]pyridine-4-carbohydrazide
CID 24978887
1-(2-Methoxyphenyl)-3-(pyridine-4-carbonylamino)urea
CID 235079
N-[(2-isonicotinoylhydrazino)carbothioyl]-2-(3-methylphenoxy)acetamide
CID 1790691
N-[[(4-methoxybenzoyl)amino]carbamothioyl]pyridine-3-carboxamide
CID 1933161
4-(2-Methoxy-phenylcarbamoyl)-1-methyl-pyridinium
CID 16240614

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea (CID 944118) is 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea is COc1ccccc1NC(=S)NNC(=O)c1ccncc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea?
The InChIKey is FXLPMAOCVQDSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-20-12-5-3-2-4-11(12)16-14(21)18-17-13(19)10-6-8-15-9-7-10/h2-9H,1H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea?
1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea has a molecular weight of 302.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(pyridine-4-carbonylamino)thiourea is sourced from PubChem (CID 944118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).