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

C9H15N3O2S — CID 106381107

IUPACN-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-10-8(13)6(2)11-4-7-5-15-9(14)12-7/h5-6,11H,3-4H2,1-2H3,(H,10,13)(H,12,14)
InChIKeyNBVKOSCOWQVMEY-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.05
Rot. Bonds5

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

N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106381107) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106381107
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-10-8(13)6(2)11-4-7-5-15-9(14)12-7/h5-6,11H,3-4H2,1-2H3,(H,10,13)(H,12,14)
InChIKeyNBVKOSCOWQVMEY-UHFFFAOYSA-N
XLogP0.05
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 114181405
N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948
N-(methylcarbamoyl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380803
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
2-[(4-bromothiophen-2-yl)methylamino]-N-ethylpropanamide
CID 43400116
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
CID 122133474

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106381107) is N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is NBVKOSCOWQVMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-10-8(13)6(2)11-4-7-5-15-9(14)12-7/h5-6,11H,3-4H2,1-2H3,(H,10,13)(H,12,14).
What are the key properties of N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 229.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106381107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).