3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

C17H22N2O4S — CID 110443343

IUPAC3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc(C(C)C)cs2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O4S/c1-10(2)12-9-24-15(19-12)8-18-17(20)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7,9-10H,8H2,1-5H3,(H,18,20)
InChIKeyLGGWWDQKWSHUPT-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.22
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 110443343) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID110443343
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc(C(C)C)cs2)cc(OC)c1OC
InChIInChI=1S/C17H22N2O4S/c1-10(2)12-9-24-15(19-12)8-18-17(20)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7,9-10H,8H2,1-5H3,(H,18,20)
InChIKeyLGGWWDQKWSHUPT-UHFFFAOYSA-N
XLogP3.22
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
2-[[(3-chloro-4-ethoxy-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245161
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368276
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
(2S)-2-amino-3,3-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897401
3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
CID 110737899
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 110443343) is 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is COc1cc(C(=O)NCc2nc(C(C)C)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is LGGWWDQKWSHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-10(2)12-9-24-15(19-12)8-18-17(20)11-6-13(21-3)16(23-5)14(7-11)22-4/h6-7,9-10H,8H2,1-5H3,(H,18,20).
What are the key properties of 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 350.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110443343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).