N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

C19H22N4O3S2 — CID 165420964

IUPACN-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)c3cnoc3C)CC2)cs1
InChIInChI=1S/C19H22N4O3S2/c1-14-16(12-21-26-14)28(24,25)23-10-8-19(9-11-23,15-6-4-3-5-7-15)17-13-27-18(20-2)22-17/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeySXAWGYBSNJIUPW-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine

N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 165420964) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID165420964
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)c3cnoc3C)CC2)cs1
InChIInChI=1S/C19H22N4O3S2/c1-14-16(12-21-26-14)28(24,25)23-10-8-19(9-11-23,15-6-4-3-5-7-15)17-13-27-18(20-2)22-17/h3-7,12-13H,8-11H2,1-2H3,(H,20,22)
InChIKeySXAWGYBSNJIUPW-UHFFFAOYSA-N
XLogP3.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (CID 165420964) is N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is CNc1nc(C2(c3ccccc3)CCN(S(=O)(=O)c3cnoc3C)CC2)cs1.
What is the InChIKey of N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is SXAWGYBSNJIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-14-16(12-21-26-14)28(24,25)23-10-8-19(9-11-23,15-6-4-3-5-7-15)17-13-27-18(20-2)22-17/h3-7,12-13H,8-11H2,1-2H3,(H,20,22).
What are the key properties of N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 418.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-[(5-methyl-1,2-oxazol-4-yl)sulfonyl]-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 165420964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).