SDXDYONHVGYHDF-UHFFFAOYSA-N

Name: SDXDYONHVGYHDF-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₆ClF₃N₆OS — CID 130419516

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-4-azaspiro[2.4]heptan-5-one

SMILESCCNc1nc(Nc2sc(N3C(=O)CCC34CC4)nc2Cl)ncc1C(F)(F)F

InChIInChI=1S/C16H16ClF3N6OS/c1-2-21-11-8(16(18,19)20)7-22-13(24-11)25-12-10(17)23-14(28-12)26-9(27)3-4-15(26)5-6-15/h7H,2-6H2,1H3,(H2,21,22,24,25)

InChIKeySDXDYONHVGYHDF-UHFFFAOYSA-N

MW432.86 g/mol

LogP4.44

Rot. Bonds5

About SDXDYONHVGYHDF-UHFFFAOYSA-N

SDXDYONHVGYHDF-UHFFFAOYSA-N (PubChem CID 130419516) has the molecular formula C₁₆H₁₆ClF₃N₆OS and a molecular weight of 432.86 g/mol. Its IUPAC name is 4-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-4-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name	SDXDYONHVGYHDF-UHFFFAOYSA-N
PubChem CID	130419516
Molecular Formula	C₁₆H₁₆ClF₃N₆OS
Molecular Weight	432.86 g/mol
Exact Mass	432.07
IUPAC Name	4-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-4-azaspiro[2.4]heptan-5-one
SMILES	CCNc1nc(Nc2sc(N3C(=O)CCC34CC4)nc2Cl)ncc1C(F)(F)F
InChI	InChI=1S/C16H16ClF3N6OS/c1-2-21-11-8(16(18,19)20)7-22-13(24-11)25-12-10(17)23-14(28-12)26-9(27)3-4-15(26)5-6-15/h7H,2-6H2,1H3,(H2,21,22,24,25)
InChIKey	SDXDYONHVGYHDF-UHFFFAOYSA-N
XLogP	4.44
TPSA	83.04 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.86
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of SDXDYONHVGYHDF-UHFFFAOYSA-N?

The IUPAC name of SDXDYONHVGYHDF-UHFFFAOYSA-N (CID 130419516) is 4-[4-chloro-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-4-azaspiro[2.4]heptan-5-one.

What is the SMILES notation for SDXDYONHVGYHDF-UHFFFAOYSA-N?

The canonical SMILES for SDXDYONHVGYHDF-UHFFFAOYSA-N is CCNc1nc(Nc2sc(N3C(=O)CCC34CC4)nc2Cl)ncc1C(F)(F)F.

What is the InChIKey of SDXDYONHVGYHDF-UHFFFAOYSA-N?

The InChIKey is SDXDYONHVGYHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N6OS/c1-2-21-11-8(16(18,19)20)7-22-13(24-11)25-12-10(17)23-14(28-12)26-9(27)3-4-15(26)5-6-15/h7H,2-6H2,1H3,(H2,21,22,24,25).

What are the key properties of SDXDYONHVGYHDF-UHFFFAOYSA-N?

SDXDYONHVGYHDF-UHFFFAOYSA-N has a molecular weight of 432.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for SDXDYONHVGYHDF-UHFFFAOYSA-N is sourced from PubChem (CID 130419516), 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

PubChem CID 130419516 — identifiers, structure, computed properties (public domain)

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.