2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide

C20H20N4O2S — CID 75797014

IUPAC2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCCCn1c(NC(=O)C2(C)Sc3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-3-12-24-15-10-6-4-8-13(15)22-19(24)23-18(26)20(2)17(25)21-14-9-5-7-11-16(14)27-20/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeySRZFNAPENPAKRI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.89
Rot. Bonds4

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

2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75797014) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75797014
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESCCCn1c(NC(=O)C2(C)Sc3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-3-12-24-15-10-6-4-8-13(15)22-19(24)23-18(26)20(2)17(25)21-14-9-5-7-11-16(14)27-20/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeySRZFNAPENPAKRI-UHFFFAOYSA-N
XLogP3.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzoxazine-2-carboxamide
CID 75795927
2-methyl-2-[3-(1-propylbenzimidazol-2-yl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 91947280
2-methyl-3-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686314
2-methyl-3-oxo-N-(2-pyrazol-1-ylethyl)-4H-1,4-benzothiazine-2-carboxamide
CID 56686325
N-(2-bromophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769200
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-(1-ethylbenzimidazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796156
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide (CID 75797014) is 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide is CCCn1c(NC(=O)C2(C)Sc3ccccc3NC2=O)nc2ccccc21.
What is the InChIKey of 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is SRZFNAPENPAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-3-12-24-15-10-6-4-8-13(15)22-19(24)23-18(26)20(2)17(25)21-14-9-5-7-11-16(14)27-20/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(1-propylbenzimidazol-2-yl)-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75797014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).