N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide

C13H23N3O2S — CID 47265757

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)7-10(17)15-11(9(3)4)12(18)16-13-14-5-6-19-13/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,14,16,18)
InChIKeyBONZAXHUIULMRO-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.39
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide (PubChem CID 47265757) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide
PubChem CID47265757
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1=NCCS1)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-8(2)7-10(17)15-11(9(3)4)12(18)16-13-14-5-6-19-13/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,14,16,18)
InChIKeyBONZAXHUIULMRO-UHFFFAOYSA-N
XLogP1.39
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide (CID 47265757) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide is CC(C)CC(=O)NC(C(=O)NC1=NCCS1)C(C)C.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide?
The InChIKey is BONZAXHUIULMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-8(2)7-10(17)15-11(9(3)4)12(18)16-13-14-5-6-19-13/h8-9,11H,5-7H2,1-4H3,(H,15,17)(H,14,16,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide has a molecular weight of 285.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide is sourced from PubChem (CID 47265757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).