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

C16H13ClN2O3S — CID 54516374

IUPACN-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C16H13ClN2O3S/c1-21-12-7-9(10(17)8-13(12)22-2)15(20)19-16-18-11-5-3-4-6-14(11)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyYMRWFQIKLQRJNN-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.22
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide (PubChem CID 54516374) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
PubChem CID54516374
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C16H13ClN2O3S/c1-21-12-7-9(10(17)8-13(12)22-2)15(20)19-16-18-11-5-3-4-6-14(11)23-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyYMRWFQIKLQRJNN-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
N-(1,3-benzothiazol-2-yl)-2-methoxy-4-methylsulfanylbenzamide
CID 3512534
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-chloro-4-methoxybenzamide
CID 1139259
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 8882491
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
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CID 35993548

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide (CID 54516374) is N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide is COc1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)cc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide?
The InChIKey is YMRWFQIKLQRJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-21-12-7-9(10(17)8-13(12)22-2)15(20)19-16-18-11-5-3-4-6-14(11)23-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide has a molecular weight of 348.81 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide is sourced from PubChem (CID 54516374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).