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

C17H14ClN3O3S — CID 2988729

IUPAC4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14ClN3O3S/c1-9(22)19-13-8-14(24-2)10(7-11(13)18)16(23)21-17-20-12-5-3-4-6-15(12)25-17/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyFLARLZARELLHMQ-UHFFFAOYSA-N
MW375.84 g/mol
LogP4.17
Rot. Bonds4

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

4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide (PubChem CID 2988729) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide
PubChem CID2988729
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H14ClN3O3S/c1-9(22)19-13-8-14(24-2)10(7-11(13)18)16(23)21-17-20-12-5-3-4-6-15(12)25-17/h3-8H,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyFLARLZARELLHMQ-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide?
The IUPAC name of 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide (CID 2988729) is 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide?
The InChIKey is FLARLZARELLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-9(22)19-13-8-14(24-2)10(7-11(13)18)16(23)21-17-20-12-5-3-4-6-15(12)25-17/h3-8H,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide?
4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide has a molecular weight of 375.84 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(1,3-benzothiazol-2-yl)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 2988729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).