4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C11H14N4O2S — CID 114181572

IUPAC4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCn1ccnc(NCc2csc(=O)[nH]2)c1=O
InChIInChI=1S/C11H14N4O2S/c1-2-4-15-5-3-12-9(10(15)16)13-6-8-7-18-11(17)14-8/h3,5,7H,2,4,6H2,1H3,(H,12,13)(H,14,17)
InChIKeyKWPDOQRLILRZQP-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.02
Rot. Bonds5

About 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181572) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181572
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCCn1ccnc(NCc2csc(=O)[nH]2)c1=O
InChIInChI=1S/C11H14N4O2S/c1-2-4-15-5-3-12-9(10(15)16)13-6-8-7-18-11(17)14-8/h3,5,7H,2,4,6H2,1H3,(H,12,13)(H,14,17)
InChIKeyKWPDOQRLILRZQP-UHFFFAOYSA-N
XLogP1.02
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382210
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 114181572) is 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCCn1ccnc(NCc2csc(=O)[nH]2)c1=O.
What is the InChIKey of 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KWPDOQRLILRZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-4-15-5-3-12-9(10(15)16)13-6-8-7-18-11(17)14-8/h3,5,7H,2,4,6H2,1H3,(H,12,13)(H,14,17).
What are the key properties of 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 266.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).