1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone

C10H16N2OS — CID 79375727

IUPAC1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCCCNc1snc(C)c1C(C)=O
InChIInChI=1S/C10H16N2OS/c1-4-5-6-11-10-9(8(3)13)7(2)12-14-10/h11H,4-6H2,1-3H3
InChIKeyDAGCZPNISJKLFY-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.87
Rot. Bonds5

About 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone

1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (PubChem CID 79375727) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
PubChem CID79375727
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
SMILESCCCCNc1snc(C)c1C(C)=O
InChIInChI=1S/C10H16N2OS/c1-4-5-6-11-10-9(8(3)13)7(2)12-14-10/h11H,4-6H2,1-3H3
InChIKeyDAGCZPNISJKLFY-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 79364484
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
CID 79363435
1-[5-[2-[di(propan-2-yl)amino]ethylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375482
1-[5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375150
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
1-[5-[(1-ethylcyclobutyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 114109609
1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone
CID 79364082
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406465
1-[5-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 83115553
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518

Frequently Asked Questions

What is the IUPAC name of 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The IUPAC name of 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone (CID 79375727) is 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is CCCCNc1snc(C)c1C(C)=O.
What is the InChIKey of 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
The InChIKey is DAGCZPNISJKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-6-11-10-9(8(3)13)7(2)12-14-10/h11H,4-6H2,1-3H3.
What are the key properties of 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone?
1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone has a molecular weight of 212.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(butylamino)-3-methyl-1,2-thiazol-4-yl]ethanone is sourced from PubChem (CID 79375727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).