(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C8H12N4O2S — CID 63103256

IUPAC(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H12N4O2S/c9-6-5-10-11-7(6)8(13)12-1-3-15(14)4-2-12/h5H,1-4,9H2,(H,10,11)
InChIKeyPMPGQYPHJODCTK-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.80
Rot. Bonds1

About (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 63103256) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID63103256
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESNc1cn[nH]c1C(=O)N1CCS(=O)CC1
InChIInChI=1S/C8H12N4O2S/c9-6-5-10-11-7(6)8(13)12-1-3-15(14)4-2-12/h5H,1-4,9H2,(H,10,11)
InChIKeyPMPGQYPHJODCTK-UHFFFAOYSA-N
XLogP-0.80
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 63103256) is (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is Nc1cn[nH]c1C(=O)N1CCS(=O)CC1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is PMPGQYPHJODCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-6-5-10-11-7(6)8(13)12-1-3-15(14)4-2-12/h5H,1-4,9H2,(H,10,11).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 228.28 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 63103256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).