BUMNKJWPZPLEQD-UHFFFAOYSA-N

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

C₁₉H₂₀F₃N₅OS — CID 155230774

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

IUPAC3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

SMILESCC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1

InChIInChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27)

InChIKeyBUMNKJWPZPLEQD-UHFFFAOYSA-N

MW423.46 g/mol

LogP5.67

Rot. Bonds6

About BUMNKJWPZPLEQD-UHFFFAOYSA-N

BUMNKJWPZPLEQD-UHFFFAOYSA-N (PubChem CID 155230774) has the molecular formula C₁₉H₂₀F₃N₅OS and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name	BUMNKJWPZPLEQD-UHFFFAOYSA-N
PubChem CID	155230774
Molecular Formula	C₁₉H₂₀F₃N₅OS
Molecular Weight	423.46 g/mol
Exact Mass	423.13
IUPAC Name	3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILES	CC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1
InChI	InChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27)
InChIKey	BUMNKJWPZPLEQD-UHFFFAOYSA-N
XLogP	5.67
TPSA	72.82 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.46
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of BUMNKJWPZPLEQD-UHFFFAOYSA-N (CID 155230774) is 3-(5-propan-2-yloxy-2-pyridinyl)-N-[5-propan-2-yl-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

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

The canonical SMILES for BUMNKJWPZPLEQD-UHFFFAOYSA-N is CC(C)Oc1ccc(-c2nsc(Nc3cc(C(F)(F)F)c(C(C)C)cn3)n2)nc1.

What is the InChIKey of BUMNKJWPZPLEQD-UHFFFAOYSA-N?

The InChIKey is BUMNKJWPZPLEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5OS/c1-10(2)13-9-24-16(7-14(13)19(20,21)22)25-18-26-17(27-29-18)15-6-5-12(8-23-15)28-11(3)4/h5-11H,1-4H3,(H,24,25,26,27).

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

BUMNKJWPZPLEQD-UHFFFAOYSA-N has a molecular weight of 423.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for BUMNKJWPZPLEQD-UHFFFAOYSA-N is sourced from PubChem (CID 155230774), 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 155230774 — identifiers, structure, computed properties (public domain)

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