Skip to content

LDRFZDJORLGNPX-UHFFFAOYSA-N

C12H11F3N6S — CID 130419719

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
SMILESCCNc1nc(Nc2sc(C#N)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C12H11F3N6S/c1-3-17-9-7(12(13,14)15)5-18-11(20-9)21-10-6(2)19-8(4-16)22-10/h5H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyLDRFZDJORLGNPX-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.31
Rot. Bonds4

About LDRFZDJORLGNPX-UHFFFAOYSA-N

LDRFZDJORLGNPX-UHFFFAOYSA-N (PubChem CID 130419719) has the molecular formula C12H11F3N6S and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound NameLDRFZDJORLGNPX-UHFFFAOYSA-N
PubChem CID130419719
Molecular FormulaC12H11F3N6S
Molecular Weight328.32 g/mol
Exact Mass328.07
IUPAC Name5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
SMILESCCNc1nc(Nc2sc(C#N)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C12H11F3N6S/c1-3-17-9-7(12(13,14)15)5-18-11(20-9)21-10-6(2)19-8(4-16)22-10/h5H,3H2,1-2H3,(H2,17,18,20,21)
InChIKeyLDRFZDJORLGNPX-UHFFFAOYSA-N
XLogP3.31
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze LDRFZDJORLGNPX-UHFFFAOYSA-N with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of LDRFZDJORLGNPX-UHFFFAOYSA-N?
The IUPAC name of LDRFZDJORLGNPX-UHFFFAOYSA-N (CID 130419719) is 5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for LDRFZDJORLGNPX-UHFFFAOYSA-N?
The canonical SMILES for LDRFZDJORLGNPX-UHFFFAOYSA-N is CCNc1nc(Nc2sc(C#N)nc2C)ncc1C(F)(F)F.
What is the InChIKey of LDRFZDJORLGNPX-UHFFFAOYSA-N?
The InChIKey is LDRFZDJORLGNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6S/c1-3-17-9-7(12(13,14)15)5-18-11(20-9)21-10-6(2)19-8(4-16)22-10/h5H,3H2,1-2H3,(H2,17,18,20,21).
What are the key properties of LDRFZDJORLGNPX-UHFFFAOYSA-N?
LDRFZDJORLGNPX-UHFFFAOYSA-N has a molecular weight of 328.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for LDRFZDJORLGNPX-UHFFFAOYSA-N is sourced from PubChem (CID 130419719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.