4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one

C12H10N2OS2 — CID 72892833

IUPAC4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1cscn1
InChIInChI=1S/C12H10N2OS2/c15-12-7-17-11-4-2-1-3-10(11)14(12)5-9-6-16-8-13-9/h1-4,6,8H,5,7H2
InChIKeyCKABKVGBMJLWNX-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.78
Rot. Bonds2

About 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one

4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one (PubChem CID 72892833) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
PubChem CID72892833
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC Name4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one
SMILESO=C1CSc2ccccc2N1Cc1cscn1
InChIInChI=1S/C12H10N2OS2/c15-12-7-17-11-4-2-1-3-10(11)14(12)5-9-6-16-8-13-9/h1-4,6,8H,5,7H2
InChIKeyCKABKVGBMJLWNX-UHFFFAOYSA-N
XLogP2.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-thiazol-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 130634599
4-[(4-methylphenyl)methyl]-1,4-benzothiazin-3-one
CID 774117
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
4-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,4-benzothiazin-3-one
CID 72930321
4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one
CID 170639967
4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one
CID 129255478
ethyl 2-[4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]triazol-1-yl]acetate
CID 139086294
4-[2-(2-aminoethoxy)ethyl]-1,4-benzothiazin-3-one
CID 84616470
N-cyclohexyl-2-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 4013346
4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
CID 17481239
N-(4-hydroxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51073879
4-[[4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]-1,4-benzothiazin-3-one
CID 42786262

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one?
The IUPAC name of 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one (CID 72892833) is 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one.
What is the SMILES notation for 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one?
The canonical SMILES for 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one is O=C1CSc2ccccc2N1Cc1cscn1.
What is the InChIKey of 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one?
The InChIKey is CKABKVGBMJLWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c15-12-7-17-11-4-2-1-3-10(11)14(12)5-9-6-16-8-13-9/h1-4,6,8H,5,7H2.
What are the key properties of 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one?
4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-4-ylmethyl)-1,4-benzothiazin-3-one is sourced from PubChem (CID 72892833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).