N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H16ClN3O2S2 — CID 40942282

IUPACN-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1CSC(N(C(=O)c2ccc3c(c2)NC(=O)CS3)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H16ClN3O2S2/c1-11-9-27-19(21-11)23(14-5-3-13(20)4-6-14)18(25)12-2-7-16-15(8-12)22-17(24)10-26-16/h2-8,11H,9-10H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyYFXHHBZIJIMAHC-NSHDSACASA-N
MW417.94 g/mol
LogP4.52
Rot. Bonds2

About N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 40942282) has the molecular formula C19H16ClN3O2S2 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID40942282
Molecular FormulaC19H16ClN3O2S2
Molecular Weight417.94 g/mol
Exact Mass417.04
IUPAC NameN-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1CSC(N(C(=O)c2ccc3c(c2)NC(=O)CS3)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C19H16ClN3O2S2/c1-11-9-27-19(21-11)23(14-5-3-13(20)4-6-14)18(25)12-2-7-16-15(8-12)22-17(24)10-26-16/h2-8,11H,9-10H2,1H3,(H,22,24)/t11-/m0/s1
InChIKeyYFXHHBZIJIMAHC-NSHDSACASA-N
XLogP4.52
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-methyl-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750441
N-(4-chlorophenyl)-4-cyano-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]benzamide
CID 8750367
N,2-bis(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750387
N,N-diethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 20967217
N-ethyl-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023514
2-(4-chlorophenoxy)-N-(4-chlorophenyl)-N-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]acetamide
CID 8750388
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 60537875
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
4-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]butanoic acid
CID 43172408
N-[(2-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7965448
6-benzoyl-4H-1,4-benzothiazin-3-one
CID 11958353
1-[methyl-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539733

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 40942282) is N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@H]1CSC(N(C(=O)c2ccc3c(c2)NC(=O)CS3)c2ccc(Cl)cc2)=N1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is YFXHHBZIJIMAHC-NSHDSACASA-N. The full InChI is InChI=1S/C19H16ClN3O2S2/c1-11-9-27-19(21-11)23(14-5-3-13(20)4-6-14)18(25)12-2-7-16-15(8-12)22-17(24)10-26-16/h2-8,11H,9-10H2,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 40942282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).