5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid

C11H17N3O3S — CID 65205051

IUPAC5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1nnsc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-2-5-8-10(18-14-13-8)11(17)12-7-4-3-6-9(15)16/h2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeySZHAGCSUOJQDOY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.48
Rot. Bonds8

About 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid

5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid (PubChem CID 65205051) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
PubChem CID65205051
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
SMILESCCCc1nnsc1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O3S/c1-2-5-8-10(18-14-13-8)11(17)12-7-4-3-6-9(15)16/h2-7H2,1H3,(H,12,17)(H,15,16)
InChIKeySZHAGCSUOJQDOY-UHFFFAOYSA-N
XLogP1.48
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
4-[propan-2-yl-(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 65205936
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoic acid
CID 113440692
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid (CID 65205051) is 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid is CCCc1nnsc1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is SZHAGCSUOJQDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-5-8-10(18-14-13-8)11(17)12-7-4-3-6-9(15)16/h2-7H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid?
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65205051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).