(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C14H11ClN2OS — CID 66483310

IUPAC(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H11ClN2OS/c15-11-9-16-6-5-10(11)14(18)17-7-8-19-13-4-2-1-3-12(13)17/h1-6,9H,7-8H2
InChIKeyYCVCLJSLGMROAV-UHFFFAOYSA-N
MW290.78 g/mol
LogP3.49
Rot. Bonds1

About (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 66483310) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID66483310
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1ccncc1Cl)N1CCSc2ccccc21
InChIInChI=1S/C14H11ClN2OS/c15-11-9-16-6-5-10(11)14(18)17-7-8-19-13-4-2-1-3-12(13)17/h1-6,9H,7-8H2
InChIKeyYCVCLJSLGMROAV-UHFFFAOYSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
(2-chloro-4-nitrophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 55342446
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205
(3-chloro-4-pyridinyl)-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)methanone
CID 77115317
(2-chloro-3-methylphenyl)-(2,3-dihydropyrido[4,3-b][1,4]thiazin-4-yl)methanone
CID 75469753
(2-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51257923
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 46194296
(3-chloro-4-iodophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103221344
2,3-dihydro-1,4-benzothiazin-4-yl-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 78828966
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 43299599
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 66483310) is (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1ccncc1Cl)N1CCSc2ccccc21.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is YCVCLJSLGMROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-11-9-16-6-5-10(11)14(18)17-7-8-19-13-4-2-1-3-12(13)17/h1-6,9H,7-8H2.
What are the key properties of (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 290.78 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 66483310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).