N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine

C8H14N4OS2 — CID 62182140

IUPACN-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C8H14N4OS2/c1-9-8-7(10-11-14-8)6-12-2-4-15(13)5-3-12/h9H,2-6H2,1H3
InChIKeyWAGBTOGVXJTATG-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.14
Rot. Bonds3

About N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine

N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (PubChem CID 62182140) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
PubChem CID62182140
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC NameN-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C8H14N4OS2/c1-9-8-7(10-11-14-8)6-12-2-4-15(13)5-3-12/h9H,2-6H2,1H3
InChIKeyWAGBTOGVXJTATG-UHFFFAOYSA-N
XLogP0.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (CID 62182140) is N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is CNc1snnc1CN1CCS(=O)CC1.
What is the InChIKey of N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The InChIKey is WAGBTOGVXJTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-9-8-7(10-11-14-8)6-12-2-4-15(13)5-3-12/h9H,2-6H2,1H3.
What are the key properties of N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine has a molecular weight of 246.36 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).