2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide

C10H17N3O2S — CID 43008937

IUPAC2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyOQWUJUJGOGJRBI-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.37
Rot. Bonds3

About 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide

2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (PubChem CID 43008937) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
PubChem CID43008937
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15)
InChIKeyOQWUJUJGOGJRBI-UHFFFAOYSA-N
XLogP0.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylpentan-2-one
CID 77342521
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2124977
3-(diethylsulfamoyl)-N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2110705
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 745467
methyl N-(4,5-dihydro-1,3-thiazol-2-yl)carbamate;hydrochloride
CID 131850093
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-ethylhexanamide
CID 40537911
2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47265585
(2R)-2-[5-[[acetyl(methyl)amino]methyl]-3,6-dihydro-2H-pyridin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 95128928
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 47265591
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
2-acetamido-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 47097701

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide (CID 43008937) is 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is CC(=O)NC(C(=O)NC1=NCCS1)C(C)C.
What is the InChIKey of 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
The InChIKey is OQWUJUJGOGJRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(2)8(12-7(3)14)9(15)13-10-11-4-5-16-10/h6,8H,4-5H2,1-3H3,(H,12,14)(H,11,13,15).
What are the key properties of 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide?
2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide has a molecular weight of 243.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide is sourced from PubChem (CID 43008937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).