2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

C12H19N3O3S — CID 61247496

IUPAC2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC(CO)CC(C)C)cs1
InChIInChI=1S/C12H19N3O3S/c1-7(2)4-9(5-16)14-11(18)10-6-19-12(15-10)13-8(3)17/h6-7,9,16H,4-5H2,1-3H3,(H,14,18)(H,13,15,17)
InChIKeyNNJZIGCDYFSGFR-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.24
Rot. Bonds6

About 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 61247496) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID61247496
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC(CO)CC(C)C)cs1
InChIInChI=1S/C12H19N3O3S/c1-7(2)4-9(5-16)14-11(18)10-6-19-12(15-10)13-8(3)17/h6-7,9,16H,4-5H2,1-3H3,(H,14,18)(H,13,15,17)
InChIKeyNNJZIGCDYFSGFR-UHFFFAOYSA-N
XLogP1.24
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
N-(1-hydroxy-4-methylpentan-2-yl)-1,2,5-thiadiazole-3-carboxamide
CID 61247372
2-acetamido-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 55024347
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide (CID 61247496) is 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC(CO)CC(C)C)cs1.
What is the InChIKey of 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NNJZIGCDYFSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-7(2)4-9(5-16)14-11(18)10-6-19-12(15-10)13-8(3)17/h6-7,9,16H,4-5H2,1-3H3,(H,14,18)(H,13,15,17).
What are the key properties of 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 61247496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).