1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea

C13H10F2N4OS — CID 17373384

IUPAC1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C13H10F2N4OS/c14-8-4-5-10(9(15)7-8)17-13(21)19-18-12(20)11-3-1-2-6-16-11/h1-7H,(H,18,20)(H2,17,19,21)
InChIKeyASKNTHDTYDGSPH-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.99
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea

1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea (PubChem CID 17373384) has the molecular formula C13H10F2N4OS and a molecular weight of 308.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea
PubChem CID17373384
Molecular FormulaC13H10F2N4OS
Molecular Weight308.31 g/mol
Exact Mass308.05
IUPAC Name1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C13H10F2N4OS/c14-8-4-5-10(9(15)7-8)17-13(21)19-18-12(20)11-3-1-2-6-16-11/h1-7H,(H,18,20)(H2,17,19,21)
InChIKeyASKNTHDTYDGSPH-UHFFFAOYSA-N
XLogP1.99
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(2,4-difluorobenzoyl)amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55834647
1-(2,4-difluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2730114
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912
N-(2,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191145
6-N-(2,4-difluorophenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109100019
N-[2-[3-(4-chlorophenyl)prop-2-enoylamino]-4-fluorophenyl]pyridine-2-carboxamide
CID 76869971
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2,4-difluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124140
5-anilino-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109197129
N-(5-fluoro-2-nitrophenyl)pyridine-2-carboxamide
CID 110461612
N'-(5-bromo-2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 9331928
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea (CID 17373384) is 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccccn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea?
The InChIKey is ASKNTHDTYDGSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4OS/c14-8-4-5-10(9(15)7-8)17-13(21)19-18-12(20)11-3-1-2-6-16-11/h1-7H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea?
1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea has a molecular weight of 308.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 17373384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).