(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide

C11H17N3O2S — CID 64557720

IUPAC(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C11H17N3O2S/c1-6(15)7-5-17-10(13-7)14-9(16)8(12)11(2,3)4/h5,8H,12H2,1-4H3,(H,13,14,16)/t8-/m1/s1
InChIKeyMEMJRIGORSVSIO-MRVPVSSYSA-N
MW255.34 g/mol
LogP1.66
Rot. Bonds3

About (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide

(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide (PubChem CID 64557720) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
PubChem CID64557720
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1
InChIInChI=1S/C11H17N3O2S/c1-6(15)7-5-17-10(13-7)14-9(16)8(12)11(2,3)4/h5,8H,12H2,1-4H3,(H,13,14,16)/t8-/m1/s1
InChIKeyMEMJRIGORSVSIO-MRVPVSSYSA-N
XLogP1.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 64896566
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
CID 115532303
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119711400
N-(4-acetyl-1,3-thiazol-2-yl)-3-(tert-butylamino)propanamide
CID 64556718
2-[1-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 77135788
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 64558465
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)propanamide
CID 116678104
N-(4-acetyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134048750
N-(4-acetyl-1,3-thiazol-2-yl)methanesulfinamide
CID 131020021

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide (CID 64557720) is (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide is CC(=O)c1csc(NC(=O)[C@@H](N)C(C)(C)C)n1.
What is the InChIKey of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is MEMJRIGORSVSIO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(15)7-5-17-10(13-7)14-9(16)8(12)11(2,3)4/h5,8H,12H2,1-4H3,(H,13,14,16)/t8-/m1/s1.
What are the key properties of (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide?
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 255.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 64557720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).