[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea

C10H7F3N4S2 — CID 71670383

IUPAC[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
SMILESNC(=S)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F3N4S2/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9(16-7)17-8(14)18/h1-4H,(H3,14,15,16,17,18)
InChIKeyUXPVNDMXZMBMHY-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.88
Rot. Bonds2

About [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea

[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea (PubChem CID 71670383) has the molecular formula C10H7F3N4S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea.

Molecular Properties

Compound Name[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
PubChem CID71670383
Molecular FormulaC10H7F3N4S2
Molecular Weight304.32 g/mol
Exact Mass304.01
IUPAC Name[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
SMILESNC(=S)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F3N4S2/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9(16-7)17-8(14)18/h1-4H,(H3,14,15,16,17,18)
InChIKeyUXPVNDMXZMBMHY-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.88
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-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea?
The IUPAC name of [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea (CID 71670383) is [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea.
What is the SMILES notation for [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea?
The canonical SMILES for [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea is NC(=S)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea?
The InChIKey is UXPVNDMXZMBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4S2/c11-10(12,13)7-4-5(6-2-1-3-19-6)15-9(16-7)17-8(14)18/h1-4H,(H3,14,15,16,17,18).
What are the key properties of [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea?
[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea has a molecular weight of 304.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea is sourced from PubChem (CID 71670383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).