(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C7H8N4OS — CID 134175528

IUPAC(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1\[C@H](C)C(=O)N=C2SC(C)=NN21
InChIInChI=1S/C7H8N4OS/c1-3-5(8)11-7(9-6(3)12)13-4(2)10-11/h3,8H,1-2H3/b8-5+/t3-/m0/s1
InChIKeyVCPTYLJSCZCYQX-YNSFCLSQSA-N
MW196.23 g/mol
LogP0.88
Rot. Bonds

About (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (PubChem CID 134175528) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
PubChem CID134175528
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SMILES[H]/N=C1\[C@H](C)C(=O)N=C2SC(C)=NN21
InChIInChI=1S/C7H8N4OS/c1-3-5(8)11-7(9-6(3)12)13-4(2)10-11/h3,8H,1-2H3/b8-5+/t3-/m0/s1
InChIKeyVCPTYLJSCZCYQX-YNSFCLSQSA-N
XLogP0.88
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CID 134175528) is (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is [H]/N=C1\[C@H](C)C(=O)N=C2SC(C)=NN21.
What is the InChIKey of (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is VCPTYLJSCZCYQX-YNSFCLSQSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-3-5(8)11-7(9-6(3)12)13-4(2)10-11/h3,8H,1-2H3/b8-5+/t3-/m0/s1.
What are the key properties of (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
(6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 196.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-imino-2,6-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 134175528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).