N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide

C18H18N2O3S — CID 16848795

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-10-5-8-15-16(11(10)2)19-18(24-15)20-17(21)13-9-12(22-3)6-7-14(13)23-4/h5-9H,1-4H3,(H,19,20,21)
InChIKeyPHJZVFCXJKHLCM-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.18
Rot. Bonds4

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide (PubChem CID 16848795) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
PubChem CID16848795
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1
InChIInChI=1S/C18H18N2O3S/c1-10-5-8-15-16(11(10)2)19-18(24-15)20-17(21)13-9-12(22-3)6-7-14(13)23-4/h5-9H,1-4H3,(H,19,20,21)
InChIKeyPHJZVFCXJKHLCM-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080700
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848813
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35521821
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8719026
2-bromo-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081442
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
2,5-dimethoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850615
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide (CID 16848795) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)Nc2nc3c(C)c(C)ccc3s2)c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
The InChIKey is PHJZVFCXJKHLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10-5-8-15-16(11(10)2)19-18(24-15)20-17(21)13-9-12(22-3)6-7-14(13)23-4/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide has a molecular weight of 342.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 16848795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).