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

C17H16N2O2S — CID 5139354

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C17H16N2O2S/c1-10-8-9-14-15(11(10)2)18-17(22-14)19-16(20)12-6-4-5-7-13(12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyHGOGISGTNWQQKX-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.17
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 5139354) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID5139354
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C17H16N2O2S/c1-10-8-9-14-15(11(10)2)18-17(22-14)19-16(20)12-6-4-5-7-13(12)21-3/h4-9H,1-3H3,(H,18,19,20)
InChIKeyHGOGISGTNWQQKX-UHFFFAOYSA-N
XLogP4.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 35521821
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
1-(2,4-dimethoxyphenyl)-3-(4,5-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080700
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 5139354) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2c(C)c(C)ccc2s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is HGOGISGTNWQQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-10-8-9-14-15(11(10)2)18-17(22-14)19-16(20)12-6-4-5-7-13(12)21-3/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 5139354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).