5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide

C22H31N5O2S — CID 71451825

IUPAC5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide
SMILESO=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCCCC1
InChIInChI=1S/C22H31N5O2S/c28-19(23-13-16-27-14-7-2-8-15-27)11-5-6-12-21-25-26-22(30-21)24-20(29)17-18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,11-17H2,(H,23,28)(H,24,26,29)
InChIKeyYWPVMHWBDCNCSQ-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.03
Rot. Bonds11

About 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide

5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide (PubChem CID 71451825) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide
PubChem CID71451825
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC Name5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide
SMILESO=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCCCC1
InChIInChI=1S/C22H31N5O2S/c28-19(23-13-16-27-14-7-2-8-15-27)11-5-6-12-21-25-26-22(30-21)24-20(29)17-18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,11-17H2,(H,23,28)(H,24,26,29)
InChIKeyYWPVMHWBDCNCSQ-UHFFFAOYSA-N
XLogP3.03
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide?
The IUPAC name of 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide (CID 71451825) is 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide.
What is the SMILES notation for 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide?
The canonical SMILES for 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide is O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCCCC1.
What is the InChIKey of 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide?
The InChIKey is YWPVMHWBDCNCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c28-19(23-13-16-27-14-7-2-8-15-27)11-5-6-12-21-25-26-22(30-21)24-20(29)17-18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,11-17H2,(H,23,28)(H,24,26,29).
What are the key properties of 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide?
5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide has a molecular weight of 429.59 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-N-(2-piperidin-1-ylethyl)pentanamide is sourced from PubChem (CID 71451825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).