2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide

C17H28N2O2S — CID 58938982

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)s1
InChIInChI=1S/C17H28N2O2S/c1-10-12(22-11(2)18-10)9-13(20)19-14(16(3,4)5)15(21)17(6,7)8/h14H,9H2,1-8H3,(H,19,20)
InChIKeyBFCBHXLKDVOWER-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.45
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (PubChem CID 58938982) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
PubChem CID58938982
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
SMILESCc1nc(C)c(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)s1
InChIInChI=1S/C17H28N2O2S/c1-10-12(22-11(2)18-10)9-13(20)19-14(16(3,4)5)15(21)17(6,7)8/h14H,9H2,1-8H3,(H,19,20)
InChIKeyBFCBHXLKDVOWER-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110678645
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95209682
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
N-[4-(diethylamino)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110328812
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 99933130
2-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 82115304
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 110650696
N-cyclopropyl-2-[4-[[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]amino]phenyl]acetamide
CID 131947902
2-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-N-propan-2-ylacetamide
CID 94265172

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide (CID 58938982) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is Cc1nc(C)c(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
The InChIKey is BFCBHXLKDVOWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-10-12(22-11(2)18-10)9-13(20)19-14(16(3,4)5)15(21)17(6,7)8/h14H,9H2,1-8H3,(H,19,20).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide has a molecular weight of 324.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide is sourced from PubChem (CID 58938982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).