2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

C19H29N5O3S2 — CID 53149484

IUPAC2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C19H29N5O3S2/c1-12(2)18(25)20-9-16-11-28-19(21-16)15-7-6-8-24(10-15)29(26,27)17-13(3)22-23(5)14(17)4/h11-12,15H,6-10H2,1-5H3,(H,20,25)
InChIKeyQUAWBUVQRGARKR-UHFFFAOYSA-N
MW439.61 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 53149484) has the molecular formula C19H29N5O3S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID53149484
Molecular FormulaC19H29N5O3S2
Molecular Weight439.61 g/mol
Exact Mass439.17
IUPAC Name2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C19H29N5O3S2/c1-12(2)18(25)20-9-16-11-28-19(21-16)15-7-6-8-24(10-15)29(26,27)17-13(3)22-23(5)14(17)4/h11-12,15H,6-10H2,1-5H3,(H,20,25)
InChIKeyQUAWBUVQRGARKR-UHFFFAOYSA-N
XLogP2.33
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 53149484) is 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is QUAWBUVQRGARKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S2/c1-12(2)18(25)20-9-16-11-28-19(21-16)15-7-6-8-24(10-15)29(26,27)17-13(3)22-23(5)14(17)4/h11-12,15H,6-10H2,1-5H3,(H,20,25).
What are the key properties of 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 439.61 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 53149484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).