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

C13H22N2OS — CID 110678864

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C13H22N2OS/c1-4-5-6-9-14-13(16)8-7-12-10(2)15-11(3)17-12/h4-9H2,1-3H3,(H,14,16)
InChIKeyQAZQQBAZLAOXJF-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.00
Rot. Bonds7

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

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide (PubChem CID 110678864) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
PubChem CID110678864
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCc1sc(C)nc1C
InChIInChI=1S/C13H22N2OS/c1-4-5-6-9-14-13(16)8-7-12-10(2)15-11(3)17-12/h4-9H2,1-3H3,(H,14,16)
InChIKeyQAZQQBAZLAOXJF-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
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
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
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
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
3-(2-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide;dihydrochloride
CID 120613101
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethyl-3-pentylguanidine
CID 111772100
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide (CID 110678864) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide is CCCCCNC(=O)CCc1sc(C)nc1C.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide?
The InChIKey is QAZQQBAZLAOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-5-6-9-14-13(16)8-7-12-10(2)15-11(3)17-12/h4-9H2,1-3H3,(H,14,16).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pentylpropanamide has a molecular weight of 254.40 g/mol, XLogP of 3.00, 7 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-pentylpropanamide is sourced from PubChem (CID 110678864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).