1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea

C16H14N4O2S — CID 3798867

IUPAC1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-15(14-13(8-11-23-14)20-9-4-5-10-20)18-19-16(22)17-12-6-2-1-3-7-12/h1-11H,(H,18,21)(H2,17,19,22)
InChIKeyJISDYWGAPJETSY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.01
Rot. Bonds3

About 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea

1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea (PubChem CID 3798867) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
PubChem CID3798867
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-15(14-13(8-11-23-14)20-9-4-5-10-20)18-19-16(22)17-12-6-2-1-3-7-12/h1-11H,(H,18,21)(H2,17,19,22)
InChIKeyJISDYWGAPJETSY-UHFFFAOYSA-N
XLogP3.01
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-pyrrol-1-yl)-N'-(2-thienylcarbonyl)-2-thiophenecarbohydrazide
CID 1481207
N-(4-methylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide
CID 1481222
4-(isopropylsulfonyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 2819591
3-(1H-Pyrrol-1-yl)-2-thiophenecarboxylic acid 2-(4-fluorobenzoyl)hydrazide
CID 3811376
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 6292584
N-(3-methylphenyl)-2-{[3-(1H-pyrrol-1-yl)-2-thienyl]carbonyl}-1-hydrazinecarboxamide
CID 1481228
N-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarboxamide
CID 3289820
N'-benzoyl-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 3811213
N'-[(Z)-phenylmethylidene]-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 5524513
N'-[(Z)-(3-methylphenyl)methylidene]-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 5524529
N'-(2,6-difluorobenzoyl)-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 1481215
3-(1H-pyrrol-1-yl)-N'-[(Z)-2-thienylmethylidene]-2-thiophenecarbohydrazide
CID 5524528

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The IUPAC name of 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea (CID 3798867) is 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The canonical SMILES for 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea is O=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
The InChIKey is JISDYWGAPJETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-15(14-13(8-11-23-14)20-9-4-5-10-20)18-19-16(22)17-12-6-2-1-3-7-12/h1-11H,(H,18,21)(H2,17,19,22).
What are the key properties of 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea?
1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea has a molecular weight of 326.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]urea is sourced from PubChem (CID 3798867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).