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

C11H18N2OS — CID 110678784

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C11H18N2OS/c1-4-7-12-11(14)6-5-10-8(2)13-9(3)15-10/h4-7H2,1-3H3,(H,12,14)
InChIKeyIQYLGLASPIHANU-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.22
Rot. Bonds5

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

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide (PubChem CID 110678784) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
PubChem CID110678784
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C11H18N2OS/c1-4-7-12-11(14)6-5-10-8(2)13-9(3)15-10/h4-7H2,1-3H3,(H,12,14)
InChIKeyIQYLGLASPIHANU-UHFFFAOYSA-N
XLogP2.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
CID 110678864
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 120613102
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
N-(2,5-dimethylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110857318
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520426
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide (CID 110678784) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide is CCCNC(=O)CCc1sc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide?
The InChIKey is IQYLGLASPIHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-7-12-11(14)6-5-10-8(2)13-9(3)15-10/h4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide has a molecular weight of 226.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide is sourced from PubChem (CID 110678784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).