(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone

C8H12N4OS — CID 43159343

IUPAC(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESNc1[nH]ncc1C(=O)N1CCSCC1
InChIInChI=1S/C8H12N4OS/c9-7-6(5-10-11-7)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H3,9,10,11)
InChIKeyYIKOAZSLYYHNEH-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.18
Rot. Bonds1

About (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone

(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone (PubChem CID 43159343) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone
PubChem CID43159343
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESNc1[nH]ncc1C(=O)N1CCSCC1
InChIInChI=1S/C8H12N4OS/c9-7-6(5-10-11-7)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H3,9,10,11)
InChIKeyYIKOAZSLYYHNEH-UHFFFAOYSA-N
XLogP0.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone (CID 43159343) is (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone is Nc1[nH]ncc1C(=O)N1CCSCC1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is YIKOAZSLYYHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-7-6(5-10-11-7)8(13)12-1-3-14-4-2-12/h5H,1-4H2,(H3,9,10,11).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone?
(5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 212.28 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 43159343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).