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

C14H21N5O3S — CID 171356115

IUPACN-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCCCC2)cs1
InChIInChI=1S/C14H21N5O3S/c1-10(20)15-14-16-11(9-23-14)13(22)18-17-12(21)5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,15,16,20)
InChIKeyROTDOJSNAHYSFL-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.74
Rot. Bonds5

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

N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 171356115) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID171356115
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCCCC2)cs1
InChIInChI=1S/C14H21N5O3S/c1-10(20)15-14-16-11(9-23-14)13(22)18-17-12(21)5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,15,16,20)
InChIKeyROTDOJSNAHYSFL-UHFFFAOYSA-N
XLogP0.74
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.74
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-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 171356115) is N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)NNC(=O)CCN2CCCCC2)cs1.
What is the InChIKey of N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ROTDOJSNAHYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-10(20)15-14-16-11(9-23-14)13(22)18-17-12(21)5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H,17,21)(H,18,22)(H,15,16,20).
What are the key properties of N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-piperidin-1-ylpropanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171356115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).