1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea

C9H9N3OS2 — CID 3003032

IUPAC1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCc1ccco1)Nc1nccs1
InChIInChI=1S/C9H9N3OS2/c14-8(12-9-10-3-5-15-9)11-6-7-2-1-4-13-7/h1-5H,6H2,(H2,10,11,12,14)
InChIKeyOLLCKULTVXOISU-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.22
Rot. Bonds3

About 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea

1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea (PubChem CID 3003032) has the molecular formula C9H9N3OS2 and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea
PubChem CID3003032
Molecular FormulaC9H9N3OS2
Molecular Weight239.33 g/mol
Exact Mass239.02
IUPAC Name1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea
SMILESS=C(NCc1ccco1)Nc1nccs1
InChIInChI=1S/C9H9N3OS2/c14-8(12-9-10-3-5-15-9)11-6-7-2-1-4-13-7/h1-5H,6H2,(H2,10,11,12,14)
InChIKeyOLLCKULTVXOISU-UHFFFAOYSA-N
XLogP2.22
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.22
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-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea (CID 3003032) is 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea is S=C(NCc1ccco1)Nc1nccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea?
The InChIKey is OLLCKULTVXOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS2/c14-8(12-9-10-3-5-15-9)11-6-7-2-1-4-13-7/h1-5H,6H2,(H2,10,11,12,14).
What are the key properties of 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea?
1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea has a molecular weight of 239.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 3003032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).