2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide

C16H12ClN3O3S — CID 118709471

IUPAC2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
SMILESCOc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C16H12ClN3O3S/c1-23-9-6-7-12-13(8-9)24-16(18-12)20-15(22)19-14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyRRLCGJPBPYFRNJ-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide

2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide (PubChem CID 118709471) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
PubChem CID118709471
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC Name2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide
SMILESCOc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1
InChIInChI=1S/C16H12ClN3O3S/c1-23-9-6-7-12-13(8-9)24-16(18-12)20-15(22)19-14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,21,22)
InChIKeyRRLCGJPBPYFRNJ-UHFFFAOYSA-N
XLogP3.92
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide (CID 118709471) is 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide is COc1ccc2nc(NC(=O)NC(=O)c3ccccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
The InChIKey is RRLCGJPBPYFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-23-9-6-7-12-13(8-9)24-16(18-12)20-15(22)19-14(21)10-4-2-3-5-11(10)17/h2-8H,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide?
2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide has a molecular weight of 361.81 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 118709471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).