2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole

C16H18F2N2O3S2 — CID 160872735

IUPAC2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole
SMILESCCS(=O)(=O)c1nc(C2CC2)sc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C16H18F2N2O3S2/c1-3-25(21,22)15-13(24-14(20-15)10-4-5-10)12-7-6-11(8-19-12)23-9-16(2,17)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeySLYUMQUIBMROIK-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.91
Rot. Bonds7

About 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole

2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole (PubChem CID 160872735) has the molecular formula C16H18F2N2O3S2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole
PubChem CID160872735
Molecular FormulaC16H18F2N2O3S2
Molecular Weight388.46 g/mol
Exact Mass388.07
IUPAC Name2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole
SMILESCCS(=O)(=O)c1nc(C2CC2)sc1-c1ccc(OCC(C)(F)F)cn1
InChIInChI=1S/C16H18F2N2O3S2/c1-3-25(21,22)15-13(24-14(20-15)10-4-5-10)12-7-6-11(8-19-12)23-9-16(2,17)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeySLYUMQUIBMROIK-UHFFFAOYSA-N
XLogP3.91
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole (CID 160872735) is 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole is CCS(=O)(=O)c1nc(C2CC2)sc1-c1ccc(OCC(C)(F)F)cn1.
What is the InChIKey of 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole?
The InChIKey is SLYUMQUIBMROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3S2/c1-3-25(21,22)15-13(24-14(20-15)10-4-5-10)12-7-6-11(8-19-12)23-9-16(2,17)18/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole?
2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole has a molecular weight of 388.46 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-(2,2-difluoropropoxy)-2-pyridinyl]-4-ethylsulfonyl-1,3-thiazole is sourced from PubChem (CID 160872735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).