2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide

C18H24N2OS — CID 29435290

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C18H24N2OS/c1-4-5-6-11-19-17(21)12-16-18(20-14(3)22-16)15-9-7-13(2)8-10-15/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeySBCVIDJBZPCBGE-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.28
Rot. Bonds7

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide (PubChem CID 29435290) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
PubChem CID29435290
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1
InChIInChI=1S/C18H24N2OS/c1-4-5-6-11-19-17(21)12-16-18(20-14(3)22-16)15-9-7-13(2)8-10-15/h7-10H,4-6,11-12H2,1-3H3,(H,19,21)
InChIKeySBCVIDJBZPCBGE-UHFFFAOYSA-N
XLogP4.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.28
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

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743704
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 167857088
N,N-dimethyl-4-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]benzamide
CID 134039142
N-(2-fluoro-5-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26881825
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26362303
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743582
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide (CID 29435290) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide is CCCCCNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide?
The InChIKey is SBCVIDJBZPCBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-4-5-6-11-19-17(21)12-16-18(20-14(3)22-16)15-9-7-13(2)8-10-15/h7-10H,4-6,11-12H2,1-3H3,(H,19,21).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide has a molecular weight of 316.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide is sourced from PubChem (CID 29435290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).