N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C17H12ClN3O2S2 — CID 112794484

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2NC1=O
InChIInChI=1S/C17H12ClN3O2S2/c1-8-15(22)19-12-6-9(2-5-13(12)24-8)16(23)21-17-20-11-4-3-10(18)7-14(11)25-17/h2-8H,1H3,(H,19,22)(H,20,21,23)
InChIKeyLMDPFTJHTJADBN-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.63
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 112794484) has the molecular formula C17H12ClN3O2S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID112794484
Molecular FormulaC17H12ClN3O2S2
Molecular Weight389.89 g/mol
Exact Mass389.01
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2NC1=O
InChIInChI=1S/C17H12ClN3O2S2/c1-8-15(22)19-12-6-9(2-5-13(12)24-8)16(23)21-17-20-11-4-3-10(18)7-14(11)25-17/h2-8H,1H3,(H,19,22)(H,20,21,23)
InChIKeyLMDPFTJHTJADBN-UHFFFAOYSA-N
XLogP4.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51159289
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51153697
2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42916640
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
(2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 25439611
N-[(4-chlorophenyl)methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147666
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8582473
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 43043166

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 112794484) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2NC1=O.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is LMDPFTJHTJADBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S2/c1-8-15(22)19-12-6-9(2-5-13(12)24-8)16(23)21-17-20-11-4-3-10(18)7-14(11)25-17/h2-8H,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 112794484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).