1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea

C10H11N3S3 — CID 3003027

IUPAC1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESS=C(NCCc1cccs1)Nc1nccs1
InChIInChI=1S/C10H11N3S3/c14-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14)
InChIKeyXVFVIQYNYRBJSF-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.73
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea

1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea (PubChem CID 3003027) has the molecular formula C10H11N3S3 and a molecular weight of 269.42 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
PubChem CID3003027
Molecular FormulaC10H11N3S3
Molecular Weight269.42 g/mol
Exact Mass269.01
IUPAC Name1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea
SMILESS=C(NCCc1cccs1)Nc1nccs1
InChIInChI=1S/C10H11N3S3/c14-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14)
InChIKeyXVFVIQYNYRBJSF-UHFFFAOYSA-N
XLogP2.73
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.73
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-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea (CID 3003027) is 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea is S=C(NCCc1cccs1)Nc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea?
The InChIKey is XVFVIQYNYRBJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S3/c14-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14).
What are the key properties of 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea?
1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea has a molecular weight of 269.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-(2-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 3003027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).