N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

C9H14N2O2S — CID 115646832

IUPACN-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCCCNC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-11-5-6-14-9(11)13/h5-6H,2-4,7H2,1H3,(H,10,12)
InChIKeyOXVANIDWNBHUFT-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.83
Rot. Bonds5

About N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide

N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 115646832) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID115646832
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCCCNC(=O)Cn1ccsc1=O
InChIInChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-11-5-6-14-9(11)13/h5-6H,2-4,7H2,1H3,(H,10,12)
InChIKeyOXVANIDWNBHUFT-UHFFFAOYSA-N
XLogP0.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.83
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

N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123883247
N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide
CID 129060250
2-(methylamino)-N-[3-methyl-1-oxo-1-(2H-1,3-thiazol-3-yl)butan-2-yl]propanamide
CID 141145133
(3-methyl-2H-1,3-thiazol-2-yl)-piperazin-1-ylmethanone
CID 146957017
2-(5-amino-2H-1,3-thiazol-3-yl)-N-ethylacetamide
CID 173431596
4-(Propan-2-yl)-2-[(propan-2-yl)amino]-2H-1,4-thiazin-3(4H)-one
CID 13117708
N-ethyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetamide
CID 18145744
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-N-propylacetamide
CID 18162789
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 27648160
N-[2-(diethylamino)ethyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47114435
N-butan-2-yl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47114490
N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47114567

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide (CID 115646832) is N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is CCCCNC(=O)Cn1ccsc1=O.
What is the InChIKey of N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is OXVANIDWNBHUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-3-4-10-8(12)7-11-5-6-14-9(11)13/h5-6H,2-4,7H2,1H3,(H,10,12).
What are the key properties of N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide?
N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 214.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 115646832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).