4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one

C17H14N4OS — CID 170639967

IUPAC4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C17H14N4OS/c22-17-11-23-15-7-2-1-6-14(15)21(17)10-16-19-9-13(20-16)12-5-3-4-8-18-12/h1-9H,10-11H2,(H,19,20)
InChIKeyGLKDIZGHLAVMIL-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.11
Rot. Bonds3

About 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one

4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one (PubChem CID 170639967) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one
PubChem CID170639967
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C17H14N4OS/c22-17-11-23-15-7-2-1-6-14(15)21(17)10-16-19-9-13(20-16)12-5-3-4-8-18-12/h1-9H,10-11H2,(H,19,20)
InChIKeyGLKDIZGHLAVMIL-UHFFFAOYSA-N
XLogP3.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
CID 72892833
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-pyridin-2-ylphenyl)propanamide
CID 170640017
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
CID 17481239
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-benzothiazin-3-one
CID 72930321
3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 116877273
4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one
CID 129255478
4-(pyrrolidin-3-ylmethyl)-1,4-benzothiazin-3-one;hydrochloride
CID 154900385
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 134053094
N-benzyl-3-(3-oxo-1,4-benzothiazin-4-yl)-N-pyridin-2-ylpropanamide
CID 17480870

Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one?
The IUPAC name of 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one (CID 170639967) is 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one?
The canonical SMILES for 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one is O=C1CSc2ccccc2N1Cc1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one?
The InChIKey is GLKDIZGHLAVMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c22-17-11-23-15-7-2-1-6-14(15)21(17)10-16-19-9-13(20-16)12-5-3-4-8-18-12/h1-9H,10-11H2,(H,19,20).
What are the key properties of 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one?
4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one has a molecular weight of 322.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one is sourced from PubChem (CID 170639967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).