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

C9H14N2O2S — CID 103775034

IUPAC2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)7(12)10-4-6-5-14-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyMDKMJPNHKVKQPF-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.10
Rot. Bonds2

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

2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 103775034) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID103775034
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)(C)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H14N2O2S/c1-9(2,3)7(12)10-4-6-5-14-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyMDKMJPNHKVKQPF-UHFFFAOYSA-N
XLogP1.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-3-(2-amino-2-oxoethyl)sulfanyl-N-(2-aminoprop-2-enyl)-2-methylpropanamide
CID 170413285
n-Isobutyl-2-(4-methyl-2-oxothiazol-3(2h)-yl)acetamide
CID 16381129

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide (CID 103775034) is 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is CC(C)(C)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is MDKMJPNHKVKQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,3)7(12)10-4-6-5-14-8(13)11-6/h5H,4H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide?
2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 214.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 103775034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).