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

C18H15N3O2S2 — CID 8895524

IUPAC(2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1Sc2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2NC1=O
InChIInChI=1S/C18H15N3O2S2/c1-10-16(22)19-12-9-11(7-8-14(12)24-10)17(23)20-18-21(2)13-5-3-4-6-15(13)25-18/h3-10H,1-2H3,(H,19,22)/b20-18-/t10-/m0/s1
InChIKeyIOUXHRDDBWSSSU-BQCSPPCXSA-N
MW369.47 g/mol
LogP3.41
Rot. Bonds1

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

(2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 8895524) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID8895524
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC Name(2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@@H]1Sc2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2NC1=O
InChIInChI=1S/C18H15N3O2S2/c1-10-16(22)19-12-9-11(7-8-14(12)24-10)17(23)20-18-21(2)13-5-3-4-6-15(13)25-18/h3-10H,1-2H3,(H,19,22)/b20-18-/t10-/m0/s1
InChIKeyIOUXHRDDBWSSSU-BQCSPPCXSA-N
XLogP3.41
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7942563
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
4-(methylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 7892459
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 8696411
N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
2-methyl-6-(2-methylsulfanylacetyl)-4H-1,4-benzothiazin-3-one
CID 116830131
2-methyl-3-oxo-N-(2-propan-2-ylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16618740
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121042699
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073013
methyl 2-[2-methoxy-5-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenoxy]acetate
CID 55771449
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4291910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 8895524) is (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is C[C@@H]1Sc2ccc(C(=O)/N=c3\sc4ccccc4n3C)cc2NC1=O.
What is the InChIKey of (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IOUXHRDDBWSSSU-BQCSPPCXSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c1-10-16(22)19-12-9-11(7-8-14(12)24-10)17(23)20-18-21(2)13-5-3-4-6-15(13)25-18/h3-10H,1-2H3,(H,19,22)/b20-18-/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
(2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 8895524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).