N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H20N4O2S2 — CID 164636032

IUPACN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cs1
InChIInChI=1S/C15H20N4O2S2/c1-10-17-11(8-23-10)4-15(21)18-13-2-3-19(6-14(13)20)5-12-7-22-9-16-12/h7-9,13-14,20H,2-6H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyNEQYEAFJOBNWJV-KBPBESRZSA-N
MW352.49 g/mol
LogP1.20
Rot. Bonds5

About N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 164636032) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID164636032
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cs1
InChIInChI=1S/C15H20N4O2S2/c1-10-17-11(8-23-10)4-15(21)18-13-2-3-19(6-14(13)20)5-12-7-22-9-16-12/h7-9,13-14,20H,2-6H2,1H3,(H,18,21)/t13-,14-/m0/s1
InChIKeyNEQYEAFJOBNWJV-KBPBESRZSA-N
XLogP1.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 164636032) is N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@H]2CCN(Cc3cscn3)C[C@@H]2O)cs1.
What is the InChIKey of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is NEQYEAFJOBNWJV-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-10-17-11(8-23-10)4-15(21)18-13-2-3-19(6-14(13)20)5-12-7-22-9-16-12/h7-9,13-14,20H,2-6H2,1H3,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 352.49 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 164636032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).