4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide

C14H15N3O2S2 — CID 129274241

IUPAC4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)C3=CCCC=C3SN2C)s1
InChIInChI=1S/C14H15N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)21-17(11)2/h5-7,18H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyBNDWUPXFNIVIJD-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.36
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide (PubChem CID 129274241) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide
PubChem CID129274241
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)C3=CCCC=C3SN2C)s1
InChIInChI=1S/C14H15N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)21-17(11)2/h5-7,18H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyBNDWUPXFNIVIJD-UHFFFAOYSA-N
XLogP3.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide
CID 59091003
(3E,5E,7Z,9E)-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazecine-3-carboxamide
CID 59718229
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5,6-dioxo-1,2-benzothiazine-3-carboxamide
CID 88008472
5-ethenyl-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-prop-1-enylthiazine-3-carboxamide
CID 90909060
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-thia-3-azabicyclo[4.4.1]undeca-1(11),4,6(11),7,9-pentaene-4-carboxamide
CID 91142792
4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide
CID 143049757
(3E,5E,7Z,9E)-4-hydroxy-1-(hydroxymethylidene)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxothiazecine-3-carboxamide
CID 143600191
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1lambda6,2-benzothiazine-3-carboxamide
CID 155014807
[4-hydroxy-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-6H-1,2-benzothiazin-6-id-5-yl]-(oxomethoxy)borinic acid;tungsten(2+)
CID 155589533
[4-hydroxy-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]-1,1-dioxo-6H-1lambda6,2-benzothiazin-6-id-5-yl]-(oxomethoxy)borinic acid;tungsten(2+)
CID 155769559
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-7,8-dihydro-1lambda6,2-benzothiazine-3-carboxamide
CID 163538743

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide (CID 129274241) is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)C3=CCCC=C3SN2C)s1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide?
The InChIKey is BNDWUPXFNIVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)21-17(11)2/h5-7,18H,3-4H2,1-2H3,(H,15,16,19).
What are the key properties of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6,7-dihydro-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 129274241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).