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

C11H19N3O2S — CID 114181405

IUPACN-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-7(9(15)14-11(2,3)4)12-5-8-6-17-10(16)13-8/h6-7,12H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyQFMZROFADGBICB-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.83
Rot. Bonds4

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

N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 114181405) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID114181405
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-7(9(15)14-11(2,3)4)12-5-8-6-17-10(16)13-8/h6-7,12H,5H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyQFMZROFADGBICB-UHFFFAOYSA-N
XLogP0.83
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380948
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
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-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
4-[[1-(2-hydroxyphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181361
N-tert-butyl-2-[(4-chlorothiophen-2-yl)methylamino]propanamide
CID 113406765
2-[(4-bromothiophen-3-yl)methylamino]-N-tert-butylpropanamide
CID 112739671
2-[(5-bromothiophen-2-yl)methylamino]-N-tert-butylpropanamide
CID 47165182
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
4-[[1-(2-hydroxy-5-methylphenyl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 114181405) is N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CC(NCc1csc(=O)[nH]1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is QFMZROFADGBICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(9(15)14-11(2,3)4)12-5-8-6-17-10(16)13-8/h6-7,12H,5H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 257.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 114181405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).