(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

C16H13ClN4OS — CID 86800701

IUPAC(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCSc4ccc(Cl)cc43)cnc21
InChIInChI=1S/C16H13ClN4OS/c1-20-9-19-12-6-10(8-18-15(12)20)16(22)21-4-5-23-14-3-2-11(17)7-13(14)21/h2-3,6-9H,4-5H2,1H3
InChIKeyLXEPSOSSKCKWJA-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.37
Rot. Bonds1

About (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone

(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 86800701) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID86800701
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCSc4ccc(Cl)cc43)cnc21
InChIInChI=1S/C16H13ClN4OS/c1-20-9-19-12-6-10(8-18-15(12)20)16(22)21-4-5-23-14-3-2-11(17)7-13(14)21/h2-3,6-9H,4-5H2,1H3
InChIKeyLXEPSOSSKCKWJA-UHFFFAOYSA-N
XLogP3.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone (CID 86800701) is (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is Cn1cnc2cc(C(=O)N3CCSc4ccc(Cl)cc43)cnc21.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is LXEPSOSSKCKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-20-9-19-12-6-10(8-18-15(12)20)16(22)21-4-5-23-14-3-2-11(17)7-13(14)21/h2-3,6-9H,4-5H2,1H3.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone?
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 344.83 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 86800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).