GNRAMWFYCNHDSF-UHFFFAOYSA-M

C₁₂H₁₄F₃N₄O₂S- — CID 154477662

About GNRAMWFYCNHDSF-UHFFFAOYSA-M

GNRAMWFYCNHDSF-UHFFFAOYSA-M (PubChem CID 154477662) has the molecular formula C₁₂H₁₄F₃N₄O₂S- and a molecular weight of 335.33 g/mol. Its IUPAC name is 3-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: GNRAMWFYCNHDSF-UHFFFAOYSA-M
• PubChem CID: 154477662
• Molecular Formula: C₁₂H₁₄F₃N₄O₂S-
• Molecular Weight: 335.33 g/mol
• Exact Mass: 335.08
• IUPAC Name: 3-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]cyclopentane-1-carboxylate
• SMILES: N/C(=N\CC(F)(F)F)Nc1nc(C2CCC(C(=O)[O-])C2)cs1
• InChI: InChI=1S/C12H15F3N4O2S/c13-12(14,15)5-17-10(16)19-11-18-8(4-22-11)6-1-2-7(3-6)9(20)21/h4,6-7H,1-3,5H2,(H,20,21)(H3,16,17,18,19)/p-1
• InChIKey: GNRAMWFYCNHDSF-UHFFFAOYSA-M
• XLogP: 1.07
• TPSA: 103.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.33
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of GNRAMWFYCNHDSF-UHFFFAOYSA-M?

The IUPAC name of GNRAMWFYCNHDSF-UHFFFAOYSA-M (CID 154477662) is 3-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]cyclopentane-1-carboxylate.

What is the SMILES notation for GNRAMWFYCNHDSF-UHFFFAOYSA-M?

The canonical SMILES for GNRAMWFYCNHDSF-UHFFFAOYSA-M is N/C(=N\CC(F)(F)F)Nc1nc(C2CCC(C(=O)[O-])C2)cs1.

What is the InChIKey of GNRAMWFYCNHDSF-UHFFFAOYSA-M?

The InChIKey is GNRAMWFYCNHDSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15F3N4O2S/c13-12(14,15)5-17-10(16)19-11-18-8(4-22-11)6-1-2-7(3-6)9(20)21/h4,6-7H,1-3,5H2,(H,20,21)(H3,16,17,18,19)/p-1.

What are the key properties of GNRAMWFYCNHDSF-UHFFFAOYSA-M?

GNRAMWFYCNHDSF-UHFFFAOYSA-M has a molecular weight of 335.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GNRAMWFYCNHDSF-UHFFFAOYSA-M is sourced from PubChem (CID 154477662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154477662 — identifiers, structure, computed properties (public domain)

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