[2-(pyridin-2-ylmethoxy)phenyl]thiourea

C13H13N3OS — CID 169357255

IUPAC[2-(pyridin-2-ylmethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1OCc1ccccn1
InChIInChI=1S/C13H13N3OS/c14-13(18)16-11-6-1-2-7-12(11)17-9-10-5-3-4-8-15-10/h1-8H,9H2,(H3,14,16,18)
InChIKeyFKYSDBHYRXSQKF-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.32
Rot. Bonds4

About [2-(pyridin-2-ylmethoxy)phenyl]thiourea

[2-(pyridin-2-ylmethoxy)phenyl]thiourea (PubChem CID 169357255) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is [2-(pyridin-2-ylmethoxy)phenyl]thiourea.

Molecular Properties

Compound Name[2-(pyridin-2-ylmethoxy)phenyl]thiourea
PubChem CID169357255
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name[2-(pyridin-2-ylmethoxy)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1OCc1ccccn1
InChIInChI=1S/C13H13N3OS/c14-13(18)16-11-6-1-2-7-12(11)17-9-10-5-3-4-8-15-10/h1-8H,9H2,(H3,14,16,18)
InChIKeyFKYSDBHYRXSQKF-UHFFFAOYSA-N
XLogP2.32
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.32
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

(2-prop-2-enoxyphenyl)thiourea
CID 169357900
N-[(2-methylpyrimidin-5-yl)methyl]-2-(pyridin-2-ylmethoxy)aniline
CID 39749730
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[2-(pyridin-2-ylmethoxy)phenyl]urea
CID 72892352
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
N'-(2-methoxyphenyl)propanedithioamide
CID 86107307
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
pyridin-2-ylthiourea
CID 1490491
(2R)-1-cyclohexyl-N-[2-(pyridin-2-ylmethoxy)phenyl]azetidine-2-carboxamide
CID 92613459
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
N,N'-bis(2-fluorophenyl)-2-[[2-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 24628139

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-2-ylmethoxy)phenyl]thiourea?
The IUPAC name of [2-(pyridin-2-ylmethoxy)phenyl]thiourea (CID 169357255) is [2-(pyridin-2-ylmethoxy)phenyl]thiourea.
What is the SMILES notation for [2-(pyridin-2-ylmethoxy)phenyl]thiourea?
The canonical SMILES for [2-(pyridin-2-ylmethoxy)phenyl]thiourea is NC(=S)Nc1ccccc1OCc1ccccn1.
What is the InChIKey of [2-(pyridin-2-ylmethoxy)phenyl]thiourea?
The InChIKey is FKYSDBHYRXSQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13(18)16-11-6-1-2-7-12(11)17-9-10-5-3-4-8-15-10/h1-8H,9H2,(H3,14,16,18).
What are the key properties of [2-(pyridin-2-ylmethoxy)phenyl]thiourea?
[2-(pyridin-2-ylmethoxy)phenyl]thiourea has a molecular weight of 259.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-2-ylmethoxy)phenyl]thiourea is sourced from PubChem (CID 169357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).