N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

C13H19N5O3S — CID 171348375

IUPACN-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CN2CCCCC2)cs1
InChIInChI=1S/C13H19N5O3S/c1-9(19)14-13-15-10(8-22-13)12(21)17-16-11(20)7-18-5-3-2-4-6-18/h8H,2-7H2,1H3,(H,16,20)(H,17,21)(H,14,15,19)
InChIKeyAESFYRYQZCYLKG-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.35
Rot. Bonds4

About N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 171348375) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID171348375
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC NameN-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CN2CCCCC2)cs1
InChIInChI=1S/C13H19N5O3S/c1-9(19)14-13-15-10(8-22-13)12(21)17-16-11(20)7-18-5-3-2-4-6-18/h8H,2-7H2,1H3,(H,16,20)(H,17,21)(H,14,15,19)
InChIKeyAESFYRYQZCYLKG-UHFFFAOYSA-N
XLogP0.35
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 171348375) is N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)NNC(=O)CN2CCCCC2)cs1.
What is the InChIKey of N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AESFYRYQZCYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-9(19)14-13-15-10(8-22-13)12(21)17-16-11(20)7-18-5-3-2-4-6-18/h8H,2-7H2,1H3,(H,16,20)(H,17,21)(H,14,15,19).
What are the key properties of N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-piperidin-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171348375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).