(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide

C18H14N4O2S2 — CID 41163618

IUPAC(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2NC1=O
InChIInChI=1S/C18H14N4O2S2/c1-10-16(23)20-13-8-11(5-6-15(13)26-10)17(24)22-18-21-14(9-25-18)12-4-2-3-7-19-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/t10-/m1/s1
InChIKeyJMKVACLMQNWKIL-SNVBAGLBSA-N
MW382.47 g/mol
LogP3.89
Rot. Bonds3

About (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide

(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 41163618) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
PubChem CID41163618
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
SMILESC[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2NC1=O
InChIInChI=1S/C18H14N4O2S2/c1-10-16(23)20-13-8-11(5-6-15(13)26-10)17(24)22-18-21-14(9-25-18)12-4-2-3-7-19-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/t10-/m1/s1
InChIKeyJMKVACLMQNWKIL-SNVBAGLBSA-N
XLogP3.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
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-[4-(pyridin-2-ylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 162520983
2-methyl-3-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 42916640
(2R)-N-(2-methoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41176183
2-methyl-3-oxo-N-(2-propan-2-ylphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 16618740
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 86942028
(2S)-N-(2,3-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41013265
(2R)-2-methyl-3-oxo-N-(4-phenoxyphenyl)-4H-1,4-benzothiazine-6-carboxamide
CID 40791310
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 129259431

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide (CID 41163618) is (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide is C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2NC1=O.
What is the InChIKey of (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is JMKVACLMQNWKIL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-10-16(23)20-13-8-11(5-6-15(13)26-10)17(24)22-18-21-14(9-25-18)12-4-2-3-7-19-12/h2-10H,1H3,(H,20,23)(H,21,22,24)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide?
(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 41163618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).