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

C9H15N3O2S — CID 106380790

IUPACN,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)N(C)C
InChIInChI=1S/C9H15N3O2S/c1-6(8(13)12(2)3)10-4-7-5-15-9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14)
InChIKeyKKPJWTXPHRVPEM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.00
Rot. Bonds4

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

N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (PubChem CID 106380790) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
PubChem CID106380790
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
SMILESCC(NCc1csc(=O)[nH]1)C(=O)N(C)C
InChIInChI=1S/C9H15N3O2S/c1-6(8(13)12(2)3)10-4-7-5-15-9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14)
InChIKeyKKPJWTXPHRVPEM-UHFFFAOYSA-N
XLogP0.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 4963600
N-(2-methylbutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16272650
2-[cyclopentyl(methyl)amino]-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 75483316
2-[2-oxo-4-(trifluoromethyl)-1,3-thiazol-3-yl]-N-propan-2-ylacetamide
CID 71979625
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103862860
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106380838
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
N-cyclohexyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 4808442
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-sulfanylethyl)acetamide
CID 177680509
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propan-2-yl-3H-1,3-thiazole-4-carboxamide
CID 123265507

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide (CID 106380790) is N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is CC(NCc1csc(=O)[nH]1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
The InChIKey is KKPJWTXPHRVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(8(13)12(2)3)10-4-7-5-15-9(14)11-7/h5-6,10H,4H2,1-3H3,(H,11,14).
What are the key properties of N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide?
N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide has a molecular weight of 229.30 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 106380790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).