1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea

C11H11N3OS2 — CID 3034561

IUPAC1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea
SMILESS=C(NOCc1cscn1)Nc1ccccc1
InChIInChI=1S/C11H11N3OS2/c16-11(13-9-4-2-1-3-5-9)14-15-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,16)
InChIKeyXAPMQMMTOAQZGE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.56
Rot. Bonds4

About 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea

1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea (PubChem CID 3034561) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea.

Molecular Properties

Compound Name1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea
PubChem CID3034561
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea
SMILESS=C(NOCc1cscn1)Nc1ccccc1
InChIInChI=1S/C11H11N3OS2/c16-11(13-9-4-2-1-3-5-9)14-15-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,16)
InChIKeyXAPMQMMTOAQZGE-UHFFFAOYSA-N
XLogP2.56
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea?
The IUPAC name of 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea (CID 3034561) is 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea.
What is the SMILES notation for 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea?
The canonical SMILES for 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea is S=C(NOCc1cscn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea?
The InChIKey is XAPMQMMTOAQZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c16-11(13-9-4-2-1-3-5-9)14-15-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,16).
What are the key properties of 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea?
1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea has a molecular weight of 265.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1,3-thiazol-4-ylmethoxy)thiourea is sourced from PubChem (CID 3034561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).