FLPSKXKWHMRQIB-SNVBAGLBSA-N

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

C₁₈H₁₅F₃N₄O₂S — CID 121397827

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

IUPAC3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide

SMILESCc1cnc(-c2cc(O)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1

InChIInChI=1S/C18H15F3N4O2S/c1-9-6-22-16(28-9)12-3-11(4-14(26)5-12)15(27)25-10(2)13-7-23-17(24-8-13)18(19,20)21/h3-8,10,26H,1-2H3,(H,25,27)/t10-/m1/s1

InChIKeyFLPSKXKWHMRQIB-SNVBAGLBSA-N

MW408.41 g/mol

LogP4.12

Rot. Bonds4

About FLPSKXKWHMRQIB-SNVBAGLBSA-N

FLPSKXKWHMRQIB-SNVBAGLBSA-N (PubChem CID 121397827) has the molecular formula C₁₈H₁₅F₃N₄O₂S and a molecular weight of 408.41 g/mol. Its IUPAC name is 3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name	FLPSKXKWHMRQIB-SNVBAGLBSA-N
PubChem CID	121397827
Molecular Formula	C₁₈H₁₅F₃N₄O₂S
Molecular Weight	408.41 g/mol
Exact Mass	408.09
IUPAC Name	3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
SMILES	Cc1cnc(-c2cc(O)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
InChI	InChI=1S/C18H15F3N4O2S/c1-9-6-22-16(28-9)12-3-11(4-14(26)5-12)15(27)25-10(2)13-7-23-17(24-8-13)18(19,20)21/h3-8,10,26H,1-2H3,(H,25,27)/t10-/m1/s1
InChIKey	FLPSKXKWHMRQIB-SNVBAGLBSA-N
XLogP	4.12
TPSA	88.00 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.41
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of FLPSKXKWHMRQIB-SNVBAGLBSA-N?

The IUPAC name of FLPSKXKWHMRQIB-SNVBAGLBSA-N (CID 121397827) is 3-hydroxy-5-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide.

What is the SMILES notation for FLPSKXKWHMRQIB-SNVBAGLBSA-N?

The canonical SMILES for FLPSKXKWHMRQIB-SNVBAGLBSA-N is Cc1cnc(-c2cc(O)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1.

What is the InChIKey of FLPSKXKWHMRQIB-SNVBAGLBSA-N?

The InChIKey is FLPSKXKWHMRQIB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-9-6-22-16(28-9)12-3-11(4-14(26)5-12)15(27)25-10(2)13-7-23-17(24-8-13)18(19,20)21/h3-8,10,26H,1-2H3,(H,25,27)/t10-/m1/s1.

What are the key properties of FLPSKXKWHMRQIB-SNVBAGLBSA-N?

FLPSKXKWHMRQIB-SNVBAGLBSA-N has a molecular weight of 408.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for FLPSKXKWHMRQIB-SNVBAGLBSA-N is sourced from PubChem (CID 121397827), 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 121397827 — identifiers, structure, computed properties (public domain)

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