N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

C18H24N2OS — CID 32646390

IUPACN-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCCCNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H24N2OS/c1-3-4-5-6-11-19-17(21)12-16-13-22-18(20-16)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyBTZAEJAPLOAVNK-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.36
Rot. Bonds8

About N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 32646390) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID32646390
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCCCCCNC(=O)Cc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H24N2OS/c1-3-4-5-6-11-19-17(21)12-16-13-22-18(20-16)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)
InChIKeyBTZAEJAPLOAVNK-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.36
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

ethyl 4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoate
CID 37258678
N-[2-(diethylamino)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 86906795
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
4-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119170578
(2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 39965429
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 32646390) is N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCCCCCNC(=O)Cc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BTZAEJAPLOAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-4-5-6-11-19-17(21)12-16-13-22-18(20-16)15-9-7-14(2)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 316.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 32646390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).