N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C12H20N2O3S — CID 43418044

IUPACN-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-3-10(7-15)13-11(16)5-4-6-14-9(2)8-18-12(14)17/h8,10,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyAUIQEJNSCFUAPT-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 43418044) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID43418044
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCCC(CO)NC(=O)CCCn1c(C)csc1=O
InChIInChI=1S/C12H20N2O3S/c1-3-10(7-15)13-11(16)5-4-6-14-9(2)8-18-12(14)17/h8,10,15H,3-7H2,1-2H3,(H,13,16)
InChIKeyAUIQEJNSCFUAPT-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726314
N-(3,3-difluoro-2-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 103770091
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 104857315
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43353737
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43355363
3-Hydroxy-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43357807
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43392550
N-(3-hydroxypropyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43417732
N-(1-hydroxybutan-2-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418007
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
N-(1-hydroxypropan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 43418731
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43469433

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 43418044) is N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is CCC(CO)NC(=O)CCCn1c(C)csc1=O.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is AUIQEJNSCFUAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-10(7-15)13-11(16)5-4-6-14-9(2)8-18-12(14)17/h8,10,15H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 272.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 43418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).