N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

C17H24N4O4S2 — CID 71842132

IUPACN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C17H24N4O4S2/c1-4-15(22)18-9-14-10-26-17(19-14)13-5-7-21(8-6-13)27(23,24)16-11(2)20-25-12(16)3/h10,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyQZDDVSRWHJOBOQ-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.34
Rot. Bonds6

About N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842132) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842132
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC NameN-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C17H24N4O4S2/c1-4-15(22)18-9-14-10-26-17(19-14)13-5-7-21(8-6-13)27(23,24)16-11(2)20-25-12(16)3/h10,13H,4-9H2,1-3H3,(H,18,22)
InChIKeyQZDDVSRWHJOBOQ-UHFFFAOYSA-N
XLogP2.34
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842132) is N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is QZDDVSRWHJOBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-4-15(22)18-9-14-10-26-17(19-14)13-5-7-21(8-6-13)27(23,24)16-11(2)20-25-12(16)3/h10,13H,4-9H2,1-3H3,(H,18,22).
What are the key properties of N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 412.54 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).