(4-thiophen-2-ylpyrimidin-2-yl)thiourea

C9H8N4S2 — CID 1482759

IUPAC(4-thiophen-2-ylpyrimidin-2-yl)thiourea
SMILESNC(=S)Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C9H8N4S2/c10-8(14)13-9-11-4-3-6(12-9)7-2-1-5-15-7/h1-5H,(H3,10,11,12,13,14)
InChIKeyPOTPPCPRBDFTRJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.86
Rot. Bonds2

About (4-thiophen-2-ylpyrimidin-2-yl)thiourea

(4-thiophen-2-ylpyrimidin-2-yl)thiourea (PubChem CID 1482759) has the molecular formula C9H8N4S2 and a molecular weight of 236.33 g/mol. Its IUPAC name is (4-thiophen-2-ylpyrimidin-2-yl)thiourea.

Molecular Properties

Compound Name(4-thiophen-2-ylpyrimidin-2-yl)thiourea
PubChem CID1482759
Molecular FormulaC9H8N4S2
Molecular Weight236.33 g/mol
Exact Mass236.02
IUPAC Name(4-thiophen-2-ylpyrimidin-2-yl)thiourea
SMILESNC(=S)Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C9H8N4S2/c10-8(14)13-9-11-4-3-6(12-9)7-2-1-5-15-7/h1-5H,(H3,10,11,12,13,14)
InChIKeyPOTPPCPRBDFTRJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.86
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 (4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The IUPAC name of (4-thiophen-2-ylpyrimidin-2-yl)thiourea (CID 1482759) is (4-thiophen-2-ylpyrimidin-2-yl)thiourea.
What is the SMILES notation for (4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The canonical SMILES for (4-thiophen-2-ylpyrimidin-2-yl)thiourea is NC(=S)Nc1nccc(-c2cccs2)n1.
What is the InChIKey of (4-thiophen-2-ylpyrimidin-2-yl)thiourea?
The InChIKey is POTPPCPRBDFTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S2/c10-8(14)13-9-11-4-3-6(12-9)7-2-1-5-15-7/h1-5H,(H3,10,11,12,13,14).
What are the key properties of (4-thiophen-2-ylpyrimidin-2-yl)thiourea?
(4-thiophen-2-ylpyrimidin-2-yl)thiourea has a molecular weight of 236.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-ylpyrimidin-2-yl)thiourea is sourced from PubChem (CID 1482759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).