2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide

C18H24N2O3S — CID 110289706

IUPAC2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(CC(C)C)c1nc(C)cs1
InChIInChI=1S/C18H24N2O3S/c1-11(2)9-13(18-19-12(3)10-24-18)20-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8,10-11,13H,9H2,1-5H3,(H,20,21)
InChIKeyKXZRWCRLBLQKLN-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.99
Rot. Bonds7

About 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide

2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide (PubChem CID 110289706) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
PubChem CID110289706
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NC(CC(C)C)c1nc(C)cs1
InChIInChI=1S/C18H24N2O3S/c1-11(2)9-13(18-19-12(3)10-24-18)20-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8,10-11,13H,9H2,1-5H3,(H,20,21)
InChIKeyKXZRWCRLBLQKLN-UHFFFAOYSA-N
XLogP3.99
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-methoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]ethanesulfonamide
CID 110308152
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 64555667
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
N-(4-bromobutan-2-yl)-2,6-dimethoxybenzamide
CID 83179704
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
1-(4-fluoro-2-methoxyphenyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56824401

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide (CID 110289706) is 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide is COc1cccc(OC)c1C(=O)NC(CC(C)C)c1nc(C)cs1.
What is the InChIKey of 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
The InChIKey is KXZRWCRLBLQKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-11(2)9-13(18-19-12(3)10-24-18)20-17(21)16-14(22-4)7-6-8-15(16)23-5/h6-8,10-11,13H,9H2,1-5H3,(H,20,21).
What are the key properties of 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide?
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide has a molecular weight of 348.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide is sourced from PubChem (CID 110289706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).