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

C10H16N2OS — CID 110484403

IUPACN-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-11-9(13)6-10-12-8(2)7-14-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyXEGBUVJVLVYKNA-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.91
Rot. Bonds5

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

N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 110484403) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID110484403
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCNC(=O)Cc1nc(C)cs1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-11-9(13)6-10-12-8(2)7-14-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyXEGBUVJVLVYKNA-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.91
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-hexyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484487
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
N-(2,2-dimethoxyethyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484412
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-(4-aminophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]acetamide;dihydrochloride
CID 119875296
3-amino-1-(4-methyl-1,3-thiazol-2-yl)heptan-2-one
CID 116556825
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pent-3-enamide
CID 171145739
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-hexylacetamide
CID 82547831
2-(4-methyl-1,3-thiazol-2-yl)-N-pyrimidin-2-ylacetamide
CID 110484384
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 110484403) is N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCNC(=O)Cc1nc(C)cs1.
What is the InChIKey of N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XEGBUVJVLVYKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-11-9(13)6-10-12-8(2)7-14-10/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 212.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 110484403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).