[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

C16H19FN4O3S2 — CID 58591963

IUPAC[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)c(C(=O)c3ccccc3F)s2)CC1
InChIInChI=1S/C16H19FN4O3S2/c1-26(23,24)21-8-6-10(7-9-21)19-16-20-15(18)14(25-16)13(22)11-4-2-3-5-12(11)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyQAEUZIKQXOSMIH-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.93
Rot. Bonds5

About [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone

[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (PubChem CID 58591963) has the molecular formula C16H19FN4O3S2 and a molecular weight of 398.49 g/mol. Its IUPAC name is [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
PubChem CID58591963
Molecular FormulaC16H19FN4O3S2
Molecular Weight398.49 g/mol
Exact Mass398.09
IUPAC Name[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone
SMILESCS(=O)(=O)N1CCC(Nc2nc(N)c(C(=O)c3ccccc3F)s2)CC1
InChIInChI=1S/C16H19FN4O3S2/c1-26(23,24)21-8-6-10(7-9-21)19-16-20-15(18)14(25-16)13(22)11-4-2-3-5-12(11)17/h2-5,10H,6-9,18H2,1H3,(H,19,20)
InChIKeyQAEUZIKQXOSMIH-UHFFFAOYSA-N
XLogP1.93
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone (CID 58591963) is [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is CS(=O)(=O)N1CCC(Nc2nc(N)c(C(=O)c3ccccc3F)s2)CC1.
What is the InChIKey of [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
The InChIKey is QAEUZIKQXOSMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S2/c1-26(23,24)21-8-6-10(7-9-21)19-16-20-15(18)14(25-16)13(22)11-4-2-3-5-12(11)17/h2-5,10H,6-9,18H2,1H3,(H,19,20).
What are the key properties of [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone?
[4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone has a molecular weight of 398.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3-thiazol-5-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 58591963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).