N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide

C10H17N3O2S — CID 106380942

IUPACN-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-7(2)13(3)9(14)5-11-4-8-6-16-10(15)12-8/h6-7,11H,4-5H2,1-3H3,(H,12,15)
InChIKeyBRJSLHYPCQLLIN-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.39
Rot. Bonds5

About N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide

N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 106380942) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID106380942
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3O2S/c1-7(2)13(3)9(14)5-11-4-8-6-16-10(15)12-8/h6-7,11H,4-5H2,1-3H3,(H,12,15)
InChIKeyBRJSLHYPCQLLIN-UHFFFAOYSA-N
XLogP0.39
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106380848
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106380790
4-[[(3-chloro-2-methylprop-2-enyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106438366
4-[(3-methylbutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380474
N-butyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]acetamide
CID 106381106
4-[[(3-hydroxy-3-methylbutan-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379748
2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832
4-[(1-ethoxypropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106379693
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 106382965
2-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]propanoic acid
CID 106382338

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide (CID 106380942) is N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNCc1csc(=O)[nH]1.
What is the InChIKey of N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is BRJSLHYPCQLLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)13(3)9(14)5-11-4-8-6-16-10(15)12-8/h6-7,11H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide?
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 243.33 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 106380942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).