2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide

C12H19N3O4S — CID 103712589

IUPAC2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C12H19N3O4S/c1-8(16)14-11-15-9(6-20-11)10(17)13-7-12(2,18)4-5-19-3/h6,18H,4-5,7H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRZTKHNBXYHWGFQ-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.62
Rot. Bonds7

About 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 103712589) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID103712589
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C12H19N3O4S/c1-8(16)14-11-15-9(6-20-11)10(17)13-7-12(2,18)4-5-19-3/h6,18H,4-5,7H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyRZTKHNBXYHWGFQ-UHFFFAOYSA-N
XLogP0.62
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 115772815
2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
[2-(2-methoxyethylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605351
2-acetamido-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1,3-thiazole-4-carboxamide
CID 97058404
4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide
CID 106512254
N-(2-hydroxy-4-methoxy-2-methylbutyl)butanamide
CID 103712321

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide (CID 103712589) is 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide is COCCC(C)(O)CNC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RZTKHNBXYHWGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(16)14-11-15-9(6-20-11)10(17)13-7-12(2,18)4-5-19-3/h6,18H,4-5,7H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103712589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).