N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

C14H16N4O2S2 — CID 95828620

IUPACN-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(=O)c3cncs3)CC2)cs1
InChIInChI=1S/C14H16N4O2S2/c1-9(19)16-14-17-11(7-21-14)10-2-4-18(5-3-10)13(20)12-6-15-8-22-12/h6-8,10H,2-5H2,1H3,(H,16,17,19)
InChIKeyJEFJAZDUQUGECB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.58
Rot. Bonds3

About N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95828620) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID95828620
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC NameN-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(=O)c3cncs3)CC2)cs1
InChIInChI=1S/C14H16N4O2S2/c1-9(19)16-14-17-11(7-21-14)10-2-4-18(5-3-10)13(20)12-6-15-8-22-12/h6-8,10H,2-5H2,1H3,(H,16,17,19)
InChIKeyJEFJAZDUQUGECB-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide (CID 95828620) is N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCN(C(=O)c3cncs3)CC2)cs1.
What is the InChIKey of N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JEFJAZDUQUGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9(19)16-14-17-11(7-21-14)10-2-4-18(5-3-10)13(20)12-6-15-8-22-12/h6-8,10H,2-5H2,1H3,(H,16,17,19).
What are the key properties of N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95828620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).