N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide

C9H14N2O2S — CID 79193438

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
SMILESCc1nc(NC(=O)CCCO)sc1C
InChIInChI=1S/C9H14N2O2S/c1-6-7(2)14-9(10-6)11-8(13)4-3-5-12/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXTKQGSORRHYWFG-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.47
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide (PubChem CID 79193438) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
PubChem CID79193438
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide
SMILESCc1nc(NC(=O)CCCO)sc1C
InChIInChI=1S/C9H14N2O2S/c1-6-7(2)14-9(10-6)11-8(13)4-3-5-12/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXTKQGSORRHYWFG-UHFFFAOYSA-N
XLogP1.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 108787881
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 813223
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19184081
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrol-1-ylacetamide
CID 110688639
4-(1,3-benzothiazol-2-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
CID 51151121
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propan-2-yloxyacetamide
CID 47413054
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
CID 110697996
N-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 18128642

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide (CID 79193438) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide is Cc1nc(NC(=O)CCCO)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide?
The InChIKey is XTKQGSORRHYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-7(2)14-9(10-6)11-8(13)4-3-5-12/h12H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide has a molecular weight of 214.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxybutanamide is sourced from PubChem (CID 79193438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).