4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one

C8H13N5OS — CID 66278371

IUPAC4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc(N)ns1
InChIInChI=1S/C8H13N5OS/c1-8(2)5(14)10-3-4-13(8)7-11-6(9)12-15-7/h3-4H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyDQHCMWUKJSBPTN-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.16
Rot. Bonds1

About 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one

4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 66278371) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one
PubChem CID66278371
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc(N)ns1
InChIInChI=1S/C8H13N5OS/c1-8(2)5(14)10-3-4-13(8)7-11-6(9)12-15-7/h3-4H2,1-2H3,(H2,9,12)(H,10,14)
InChIKeyDQHCMWUKJSBPTN-UHFFFAOYSA-N
XLogP-0.16
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one (CID 66278371) is 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nc(N)ns1.
What is the InChIKey of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is DQHCMWUKJSBPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-8(2)5(14)10-3-4-13(8)7-11-6(9)12-15-7/h3-4H2,1-2H3,(H2,9,12)(H,10,14).
What are the key properties of 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one?
4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 227.29 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2,4-thiadiazol-5-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 66278371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).