N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide

C18H18N2O4S — CID 69322169

IUPACN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1OC
InChIInChI=1S/C18H18N2O4S/c1-10-12(5-6-14(23-2)17(10)24-3)18(22)19-11-4-7-15-13(8-11)20-16(9-21)25-15/h4-8,21H,9H2,1-3H3,(H,19,22)
InChIKeyGEUDAORSFLYWLI-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide

N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide (PubChem CID 69322169) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide
PubChem CID69322169
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1OC
InChIInChI=1S/C18H18N2O4S/c1-10-12(5-6-14(23-2)17(10)24-3)18(22)19-11-4-7-15-13(8-11)20-16(9-21)25-15/h4-8,21H,9H2,1-3H3,(H,19,22)
InChIKeyGEUDAORSFLYWLI-UHFFFAOYSA-N
XLogP3.37
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(acetamidomethyl)-4-bromo-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 69322206
4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
CID 11716861
N-(2-acetamido-1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 5075468
4-(dimethylamino)-N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,5-dinitrobenzamide
CID 11502581
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11384552
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxy-3-methylbenzamide
CID 110763421
2,4-dimethoxy-N-[2-[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide
CID 174863473
1-methoxy-N-(3-methoxy-4-methylphenyl)naphthalene-2-carboxamide
CID 38112960
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-6-yl)-2,3-dimethoxybenzamide
CID 18585483
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide?
The IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide (CID 69322169) is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide is COc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1OC.
What is the InChIKey of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide?
The InChIKey is GEUDAORSFLYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-12(5-6-14(23-2)17(10)24-3)18(22)19-11-4-7-15-13(8-11)20-16(9-21)25-15/h4-8,21H,9H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide?
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide has a molecular weight of 358.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-3,4-dimethoxy-2-methylbenzamide is sourced from PubChem (CID 69322169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).