1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea

C19H14Cl2N4O2S — CID 2797691

IUPAC1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C19H14Cl2N4O2S/c20-15-9-8-12(11-16(15)21)23-19(28)25-24-17(26)14-7-4-10-22-18(14)27-13-5-2-1-3-6-13/h1-11H,(H,24,26)(H2,23,25,28)
InChIKeyOXBXCEUGBABUMS-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.81
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea

1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea (PubChem CID 2797691) has the molecular formula C19H14Cl2N4O2S and a molecular weight of 433.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea
PubChem CID2797691
Molecular FormulaC19H14Cl2N4O2S
Molecular Weight433.32 g/mol
Exact Mass432.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea
SMILESO=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C19H14Cl2N4O2S/c20-15-9-8-12(11-16(15)21)23-19(28)25-24-17(26)14-7-4-10-22-18(14)27-13-5-2-1-3-6-13/h1-11H,(H,24,26)(H2,23,25,28)
InChIKeyOXBXCEUGBABUMS-UHFFFAOYSA-N
XLogP4.81
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.81
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-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
CID 972336
N'-(3-chlorophenyl)-2-phenoxynicotinohydrazide
CID 2812492
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea
CID 2797693
N'-(2-amino-5-chlorobenzoyl)-2-phenoxypyridine-3-carbohydrazide
CID 2797711
6-[3-[(3-chloro-4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-3-carboxamide
CID 127040082
6-[3-[(4-chlorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-3-carboxamide
CID 127042365
2-(3,4-dichlorophenoxy)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 12849356
N-(3-chloro-4-fluorophenyl)-2-(3-chlorophenoxy)pyridine-3-carboxamide
CID 12849370
2(3-trifluoromethylphenoxy)N-(3,4-dichlorophenyl)nicotinamide
CID 12852220
2-(4-chlorophenoxy)-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 1719415
N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxypyridine-3-carboxamide
CID 2797726
N-(6-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-2-phenoxypyridine-3-carboxamide
CID 2797724

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea (CID 2797691) is 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea is O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccnc1Oc1ccccc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea?
The InChIKey is OXBXCEUGBABUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O2S/c20-15-9-8-12(11-16(15)21)23-19(28)25-24-17(26)14-7-4-10-22-18(14)27-13-5-2-1-3-6-13/h1-11H,(H,24,26)(H2,23,25,28).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea?
1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea has a molecular weight of 433.32 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[(2-phenoxypyridine-3-carbonyl)amino]thiourea is sourced from PubChem (CID 2797691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).