4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide

C16H26N2O2S — CID 136521220

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide
SMILESCc1nc(CCCC(=O)NC2CC(C)(C)OC2(C)C)cs1
InChIInChI=1S/C16H26N2O2S/c1-11-17-12(10-21-11)7-6-8-14(19)18-13-9-15(2,3)20-16(13,4)5/h10,13H,6-9H2,1-5H3,(H,18,19)
InChIKeyQHPSALLBCSYBIY-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide

4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide (PubChem CID 136521220) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide
PubChem CID136521220
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide
SMILESCc1nc(CCCC(=O)NC2CC(C)(C)OC2(C)C)cs1
InChIInChI=1S/C16H26N2O2S/c1-11-17-12(10-21-11)7-6-8-14(19)18-13-9-15(2,3)20-16(13,4)5/h10,13H,6-9H2,1-5H3,(H,18,19)
InChIKeyQHPSALLBCSYBIY-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide with MolForge

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Related Compounds

1-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]cyclopropane-1-carboxylic acid
CID 120530435
(2R)-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]propanoic acid
CID 119369704
3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 119347689
N-[4-(2-hydroxyethyl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)butanamide
CID 111837676
3-[4-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]propanoic acid
CID 120528347
N-(3-aminobutyl)-4-(2-methyl-1,3-thiazol-4-yl)butanamide;dihydrochloride
CID 119495976
2-[[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527040
1-methyl-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 83213901
4-methoxy-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 120702123
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
1-(3,5-dimethylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119564329
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide (CID 136521220) is 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide is Cc1nc(CCCC(=O)NC2CC(C)(C)OC2(C)C)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide?
The InChIKey is QHPSALLBCSYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-17-12(10-21-11)7-6-8-14(19)18-13-9-15(2,3)20-16(13,4)5/h10,13H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide has a molecular weight of 310.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)butanamide is sourced from PubChem (CID 136521220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).