N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide

C11H18N2OS — CID 110679458

IUPACN-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1cscn1
InChIInChI=1S/C11H18N2OS/c1-3-4-7-13(2)11(14)6-5-10-8-15-9-12-10/h8-9H,3-7H2,1-2H3
InChIKeyGRYAITIESUONHT-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.33
Rot. Bonds6

About N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide

N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679458) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679458
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide
SMILESCCCCN(C)C(=O)CCc1cscn1
InChIInChI=1S/C11H18N2OS/c1-3-4-7-13(2)11(14)6-5-10-8-15-9-12-10/h8-9H,3-7H2,1-2H3
InChIKeyGRYAITIESUONHT-UHFFFAOYSA-N
XLogP2.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
CID 115729778
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
7-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)heptanamide;dihydrochloride
CID 119864882
4-heptyl-1,3-thiazole;octane
CID 91422595
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 81087719
N,N-di(propan-2-yl)-2-(1,3-thiazol-4-yl)acetamide
CID 138544936
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N-butyl-N-methyl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649314

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide (CID 110679458) is N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide is CCCCN(C)C(=O)CCc1cscn1.
What is the InChIKey of N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is GRYAITIESUONHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-4-7-13(2)11(14)6-5-10-8-15-9-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide?
N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 226.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).