2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole

C18H23FN2O3S2 — CID 99831172

IUPAC2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(C2CCN(S(=O)(=O)CCCF)CC2)n1
InChIInChI=1S/C18H23FN2O3S2/c1-24-17-6-3-2-5-15(17)16-13-25-18(20-16)14-7-10-21(11-8-14)26(22,23)12-4-9-19/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLTNSNQBCUWUBFF-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.69
Rot. Bonds7

About 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole

2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 99831172) has the molecular formula C18H23FN2O3S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole
PubChem CID99831172
Molecular FormulaC18H23FN2O3S2
Molecular Weight398.53 g/mol
Exact Mass398.11
IUPAC Name2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1csc(C2CCN(S(=O)(=O)CCCF)CC2)n1
InChIInChI=1S/C18H23FN2O3S2/c1-24-17-6-3-2-5-15(17)16-13-25-18(20-16)14-7-10-21(11-8-14)26(22,23)12-4-9-19/h2-3,5-6,13-14H,4,7-12H2,1H3
InChIKeyLTNSNQBCUWUBFF-UHFFFAOYSA-N
XLogP3.69
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole (CID 99831172) is 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1csc(C2CCN(S(=O)(=O)CCCF)CC2)n1.
What is the InChIKey of 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is LTNSNQBCUWUBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S2/c1-24-17-6-3-2-5-15(17)16-13-25-18(20-16)14-7-10-21(11-8-14)26(22,23)12-4-9-19/h2-3,5-6,13-14H,4,7-12H2,1H3.
What are the key properties of 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole?
2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 398.53 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 99831172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).