4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C18H24N2O2S — CID 56557994

IUPAC4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-5-10-22-16-8-6-14(7-9-16)17(21)19-11-15-12-23-18(20-15)13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyHWUBMWXURVVEES-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.38
Rot. Bonds8

About 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56557994) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56557994
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1
InChIInChI=1S/C18H24N2O2S/c1-4-5-10-22-16-8-6-14(7-9-16)17(21)19-11-15-12-23-18(20-15)13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyHWUBMWXURVVEES-UHFFFAOYSA-N
XLogP4.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-hexoxybenzamide
CID 108760512
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 56558275
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56557994) is 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is CCCCOc1ccc(C(=O)NCc2csc(C(C)C)n2)cc1.
What is the InChIKey of 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is HWUBMWXURVVEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-4-5-10-22-16-8-6-14(7-9-16)17(21)19-11-15-12-23-18(20-15)13(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 332.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56557994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).