N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide

C13H20N2O2S — CID 115532303

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(C(C)=O)cs1
InChIInChI=1S/C13H20N2O2S/c1-4-6-10(7-5-2)12(17)15-13-14-11(8-18-13)9(3)16/h8,10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyYRNVDIAPRZWBNO-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.50
Rot. Bonds7

About N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide (PubChem CID 115532303) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
PubChem CID115532303
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1nc(C(C)=O)cs1
InChIInChI=1S/C13H20N2O2S/c1-4-6-10(7-5-2)12(17)15-13-14-11(8-18-13)9(3)16/h8,10H,4-7H2,1-3H3,(H,14,15,17)
InChIKeyYRNVDIAPRZWBNO-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)decanamide
CID 60729978
2-(aminomethyl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 65225533
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
N-(4-acetyl-1,3-thiazol-2-yl)-3-chloro-2,2-dimethylpropanamide
CID 64557492
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705
3-(4-acetyl-1,3-thiazol-2-yl)-1,1-dimethylurea
CID 79153632
1-(2-heptan-4-yl-1,3-thiazol-4-yl)ethanone
CID 71026114
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
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)-3-(tert-butylamino)propanamide
CID 64556718

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide (CID 115532303) is N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1nc(C(C)=O)cs1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide?
The InChIKey is YRNVDIAPRZWBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-6-10(7-5-2)12(17)15-13-14-11(8-18-13)9(3)16/h8,10H,4-7H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide has a molecular weight of 268.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-propylpentanamide is sourced from PubChem (CID 115532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).