3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one

C13H18N4OS — CID 55175223

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCCc2nc(C)cs2)c1=O
InChIInChI=1S/C13H18N4OS/c1-3-7-17-8-6-15-12(13(17)18)14-5-4-11-16-10(2)9-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyICDOLMDGMOAZMY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.07
Rot. Bonds6

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

3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one (PubChem CID 55175223) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one
PubChem CID55175223
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCCc2nc(C)cs2)c1=O
InChIInChI=1S/C13H18N4OS/c1-3-7-17-8-6-15-12(13(17)18)14-5-4-11-16-10(2)9-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyICDOLMDGMOAZMY-UHFFFAOYSA-N
XLogP2.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
2-[methyl(propan-2-yl)amino]-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 71993368
2,2-dimethyl-N-[2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]propanamide
CID 40062622
(2S)-N,N-dimethyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanamide
CID 91652759
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 129617835
2-[3-(diethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3229671
1-Methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylamino]pyrazin-2-one
CID 75467937
1-(4-Methyl-3-oxopyrazin-2-yl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]urea
CID 75521759
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957982
2-[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111617083
2-[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]-N-propylacetamide
CID 111617084
2-[[ethylamino-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]methylidene]amino]-N-propylacetamide
CID 111617824

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one (CID 55175223) is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCCc2nc(C)cs2)c1=O.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one?
The InChIKey is ICDOLMDGMOAZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-7-17-8-6-15-12(13(17)18)14-5-4-11-16-10(2)9-19-11/h6,8-9H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one?
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one has a molecular weight of 278.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 55175223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).