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

C8H12N2O2S — CID 103775086

IUPAC2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5(2)7(11)9-3-6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyZUXJPTUGXNKNAY-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.71
Rot. Bonds3

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

2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 103775086) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID103775086
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-5(2)7(11)9-3-6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyZUXJPTUGXNKNAY-UHFFFAOYSA-N
XLogP0.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 132381750
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106380787
2-amino-3,3,3-trifluoro-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 106381292
3-methylsulfanyl-N-[2-(3-methylsulfanylpropanoylamino)prop-2-enyl]propanamide
CID 117649954
N-butan-2-yl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123213192
2-oxo-N-propyl-3H-1,3-thiazole-4-carboxamide
CID 123679448
N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123883247
N-(2-methylpropyl)-2-oxo-3H-1,3-thiazole-4-carboxamide
CID 123972562
N-(2,3-dihydro-1,3-thiazol-4-ylmethyl)-N-methylpropanamide
CID 129309953
N-[2-(2,2-dimethylpropylamino)prop-2-enyl]-2-[(2-methylsulfanylacetyl)amino]acetamide
CID 157526966
(2R)-N-(2-aminoprop-2-enyl)-2-methyl-3-(2-oxopropylsulfanyl)propanamide
CID 170413189
(2R)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
CID 170413285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 103775086) is 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is CC(C)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is ZUXJPTUGXNKNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-5(2)7(11)9-3-6-4-13-8(12)10-6/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 200.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 103775086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).