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

C9H16N4OS2 — CID 62183003

IUPACN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C9H16N4OS2/c1-2-10-9-8(11-12-15-9)7-13-3-5-16(14)6-4-13/h10H,2-7H2,1H3
InChIKeyPANSWXDHNKNLGT-UHFFFAOYSA-N
MW260.39 g/mol
LogP0.53
Rot. Bonds4

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

N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (PubChem CID 62183003) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
PubChem CID62183003
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC NameN-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCS(=O)CC1
InChIInChI=1S/C9H16N4OS2/c1-2-10-9-8(11-12-15-9)7-13-3-5-16(14)6-4-13/h10H,2-7H2,1H3
InChIKeyPANSWXDHNKNLGT-UHFFFAOYSA-N
XLogP0.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine (CID 62183003) is N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is CCNc1snnc1CN1CCS(=O)CC1.
What is the InChIKey of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
The InChIKey is PANSWXDHNKNLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-2-10-9-8(11-12-15-9)7-13-3-5-16(14)6-4-13/h10H,2-7H2,1H3.
What are the key properties of N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine?
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine has a molecular weight of 260.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62183003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).