4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

C7H9N5O2S — CID 80615710

IUPAC4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESNc1nnc(C(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C7H9N5O2S/c8-7-11-10-5(15-7)6(14)12-2-1-9-4(13)3-12/h1-3H2,(H2,8,11)(H,9,13)
InChIKeyPYNKAIMIZOCPNR-UHFFFAOYSA-N
MW227.25 g/mol
LogP-1.31
Rot. Bonds1

About 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one

4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (PubChem CID 80615710) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
PubChem CID80615710
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
SMILESNc1nnc(C(=O)N2CCNC(=O)C2)s1
InChIInChI=1S/C7H9N5O2S/c8-7-11-10-5(15-7)6(14)12-2-1-9-4(13)3-12/h1-3H2,(H2,8,11)(H,9,13)
InChIKeyPYNKAIMIZOCPNR-UHFFFAOYSA-N
XLogP-1.31
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-1,3-benzothiazole-6-carbonyl)piperazin-2-one
CID 60636409
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 170715907
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80607505
4-(4-amino-3,5-dichlorobenzoyl)piperazin-2-one
CID 82832628
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(6-aminopyridine-2-carbonyl)piperazin-2-one;hydrochloride
CID 119998920
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
4-acetylpiperazin-2-one
CID 12744517
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one (CID 80615710) is 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is Nc1nnc(C(=O)N2CCNC(=O)C2)s1.
What is the InChIKey of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
The InChIKey is PYNKAIMIZOCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c8-7-11-10-5(15-7)6(14)12-2-1-9-4(13)3-12/h1-3H2,(H2,8,11)(H,9,13).
What are the key properties of 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one?
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one has a molecular weight of 227.25 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 80615710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).