[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone

C20H18F3N5O3S — CID 66840140

IUPAC[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2ccc(C(F)(F)F)nc2o1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)15-2-1-12-9-14(31-16(12)25-15)18(29)28-10-13(11-28)26-4-6-27(7-5-26)19(30)17-24-3-8-32-17/h1-3,8-9,13H,4-7,10-11H2
InChIKeyUKJNMBADTCWNFY-UHFFFAOYSA-N
MW465.46 g/mol
LogP2.59
Rot. Bonds3

About [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone

[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone (PubChem CID 66840140) has the molecular formula C20H18F3N5O3S and a molecular weight of 465.46 g/mol. Its IUPAC name is [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone
PubChem CID66840140
Molecular FormulaC20H18F3N5O3S
Molecular Weight465.46 g/mol
Exact Mass465.11
IUPAC Name[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1cc2ccc(C(F)(F)F)nc2o1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
InChIInChI=1S/C20H18F3N5O3S/c21-20(22,23)15-2-1-12-9-14(31-16(12)25-15)18(29)28-10-13(11-28)26-4-6-27(7-5-26)19(30)17-24-3-8-32-17/h1-3,8-9,13H,4-7,10-11H2
InChIKeyUKJNMBADTCWNFY-UHFFFAOYSA-N
XLogP2.59
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone (CID 66840140) is [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone is O=C(c1cc2ccc(C(F)(F)F)nc2o1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.
What is the InChIKey of [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone?
The InChIKey is UKJNMBADTCWNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S/c21-20(22,23)15-2-1-12-9-14(31-16(12)25-15)18(29)28-10-13(11-28)26-4-6-27(7-5-26)19(30)17-24-3-8-32-17/h1-3,8-9,13H,4-7,10-11H2.
What are the key properties of [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone?
[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone has a molecular weight of 465.46 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]-[6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 66840140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).