N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H20N2OS — CID 110484487

IUPACN-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCCNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-3-4-5-6-7-13-11(15)8-12-14-10(2)9-16-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyMVRLBQZLZFNCLK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.69
Rot. Bonds7

About N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 110484487) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID110484487
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCCCNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C12H20N2OS/c1-3-4-5-6-7-13-11(15)8-12-14-10(2)9-16-12/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyMVRLBQZLZFNCLK-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.69
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-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
N-(2,2-dimethoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484412
1-ethyl-3-hexyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine
CID 111161457
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1-octylguanidine
CID 111097861
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 110484487) is N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCCCNC(=O)Cc1nc(C)cs1.
What is the InChIKey of N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MVRLBQZLZFNCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-4-5-6-7-13-11(15)8-12-14-10(2)9-16-12/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 240.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110484487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).