3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

C13H20N4O3S — CID 65206219

IUPAC3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCCc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-3-10-12(21-15-14-10)13(20)17-8-6-16(7-9-17)5-4-11(18)19/h2-9H2,1H3,(H,18,19)
InChIKeyURGKXVTXWPNXAP-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.72
Rot. Bonds6

About 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 65206219) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID65206219
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCCCc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H20N4O3S/c1-2-3-10-12(21-15-14-10)13(20)17-8-6-16(7-9-17)5-4-11(18)19/h2-9H2,1H3,(H,18,19)
InChIKeyURGKXVTXWPNXAP-UHFFFAOYSA-N
XLogP0.72
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90508854
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205088
(4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95353960
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 106837062
(3-chloropyrrolidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207236
(4-methylsulfonylpiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 71805668
3-[4-(thiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522672
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone;hydrochloride
CID 71783165
1-(4-propylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 65206261
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059681

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 65206219) is 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is CCCc1nnsc1C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is URGKXVTXWPNXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-3-10-12(21-15-14-10)13(20)17-8-6-16(7-9-17)5-4-11(18)19/h2-9H2,1H3,(H,18,19).
What are the key properties of 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 312.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 65206219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).