1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea

C19H17N3OS — CID 11674430

IUPAC1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
SMILESS=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H17N3OS/c24-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,24)
InChIKeyNGJPMRLICDBXEP-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.47
Rot. Bonds5

About 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea

1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea (PubChem CID 11674430) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
PubChem CID11674430
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
SMILESS=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H17N3OS/c24-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,24)
InChIKeyNGJPMRLICDBXEP-UHFFFAOYSA-N
XLogP4.47
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
1-phenyl-3-(4-phenylmethoxyphenyl)thiourea
CID 807898
1-(3-methyl-2-pyridinyl)-3-phenylthiourea
CID 782010
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
1-[4-[[2-(methylamino)-3-pyridinyl]oxymethyl]-2-pyridinyl]-3-(4-phenoxyphenyl)thiourea
CID 143409241
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
CID 59225705
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
1-phenyl-3-[(4-phenylmethoxyphenyl)methyl]thiourea
CID 168880124

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea?
The IUPAC name of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea (CID 11674430) is 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea.
What is the SMILES notation for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea?
The canonical SMILES for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea is S=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea?
The InChIKey is NGJPMRLICDBXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c24-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,24).
What are the key properties of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea?
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea has a molecular weight of 335.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea is sourced from PubChem (CID 11674430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).