1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea

C11H11N3OS2 — CID 2355000

IUPAC1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESCOc1ccc(NC(=S)Nc2nccs2)cc1
InChIInChI=1S/C11H11N3OS2/c1-15-9-4-2-8(3-5-9)13-10(16)14-11-12-6-7-17-11/h2-7H,1H3,(H2,12,13,14,16)
InChIKeyMXMWGEXKZMCIIE-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.96
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea

1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 2355000) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID2355000
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC Name1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESCOc1ccc(NC(=S)Nc2nccs2)cc1
InChIInChI=1S/C11H11N3OS2/c1-15-9-4-2-8(3-5-9)13-10(16)14-11-12-6-7-17-11/h2-7H,1H3,(H2,12,13,14,16)
InChIKeyMXMWGEXKZMCIIE-UHFFFAOYSA-N
XLogP2.96
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea (CID 2355000) is 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea is COc1ccc(NC(=S)Nc2nccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is MXMWGEXKZMCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-15-9-4-2-8(3-5-9)13-10(16)14-11-12-6-7-17-11/h2-7H,1H3,(H2,12,13,14,16).
What are the key properties of 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 265.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 2355000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).