2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

C16H25N3O2S2 — CID 100842423

IUPAC2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)sc1CC(N)=O
InChIInChI=1S/C16H25N3O2S2/c1-9-5-10(2)8-19(7-9)15(21)12(4)22-16-18-11(3)13(23-16)6-14(17)20/h9-10,12H,5-8H2,1-4H3,(H2,17,20)/t9-,10-,12-/m1/s1
InChIKeyGBWUDYUMNQOTFO-CKYFFXLPSA-N
MW355.53 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 100842423) has the molecular formula C16H25N3O2S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID100842423
Molecular FormulaC16H25N3O2S2
Molecular Weight355.53 g/mol
Exact Mass355.14
IUPAC Name2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCc1nc(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)sc1CC(N)=O
InChIInChI=1S/C16H25N3O2S2/c1-9-5-10(2)8-19(7-9)15(21)12(4)22-16-18-11(3)13(23-16)6-14(17)20/h9-10,12H,5-8H2,1-4H3,(H2,17,20)/t9-,10-,12-/m1/s1
InChIKeyGBWUDYUMNQOTFO-CKYFFXLPSA-N
XLogP2.46
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide (CID 100842423) is 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is Cc1nc(S[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)sc1CC(N)=O.
What is the InChIKey of 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is GBWUDYUMNQOTFO-CKYFFXLPSA-N. The full InChI is InChI=1S/C16H25N3O2S2/c1-9-5-10(2)8-19(7-9)15(21)12(4)22-16-18-11(3)13(23-16)6-14(17)20/h9-10,12H,5-8H2,1-4H3,(H2,17,20)/t9-,10-,12-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide?
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 355.53 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 100842423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).