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

C10H18N4OS2 — CID 62183004

IUPAC4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C10H18N4OS2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-17(15)7-5-14/h11H,2-8H2,1H3
InChIKeyHYRBUFVMMHPWAN-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.92
Rot. Bonds5

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

4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 62183004) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID62183004
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C10H18N4OS2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-17(15)7-5-14/h11H,2-8H2,1H3
InChIKeyHYRBUFVMMHPWAN-UHFFFAOYSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine (CID 62183004) is 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1CCS(=O)CC1.
What is the InChIKey of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is HYRBUFVMMHPWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-2-3-11-10-9(12-13-16-10)8-14-4-6-17(15)7-5-14/h11H,2-8H2,1H3.
What are the key properties of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 274.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62183004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).