N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide

C10H17N3O2S — CID 106381106

IUPACN-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCCCCNC(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-3-4-12-9(14)6-11-5-8-7-16-10(15)13-8/h7,11H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyZPISGNVJOBLORM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.44
Rot. Bonds7

About N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide

N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 106381106) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID106381106
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCCCCNC(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-2-3-4-12-9(14)6-11-5-8-7-16-10(15)13-8/h7,11H,2-6H2,1H3,(H,12,14)(H,13,15)
InChIKeyZPISGNVJOBLORM-UHFFFAOYSA-N
XLogP0.44
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106438366
4-[[4-(2-aminoethyl)heptylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181544
N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
CID 60976720
N-pentyl-2-(pentylamino)acetamide
CID 109005932
2-[(5-methylthiophen-2-yl)methylamino]-N-propylacetamide
CID 43399922
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
N-butyl-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106372322
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
CID 60977162
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526
2-(furan-2-ylmethylamino)-N-pentylacetamide
CID 108996263
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide (CID 106381106) is N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide is CCCCNC(=O)CNCc1csc(=O)[nH]1.
What is the InChIKey of N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is ZPISGNVJOBLORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-4-12-9(14)6-11-5-8-7-16-10(15)13-8/h7,11H,2-6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide?
N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 243.33 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 106381106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).