2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide

C16H12N4O3S — CID 138742690

IUPAC2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1c1nccc(Oc2cccnc2)n1
InChIInChI=1S/C16H12N4O3S/c21-24(22)14-6-2-1-4-12(14)11-20(24)16-18-9-7-15(19-16)23-13-5-3-8-17-10-13/h1-10H,11H2
InChIKeyQOCPNRITLAFLGT-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.37
Rot. Bonds3

About 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide

2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 138742690) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID138742690
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1c1nccc(Oc2cccnc2)n1
InChIInChI=1S/C16H12N4O3S/c21-24(22)14-6-2-1-4-12(14)11-20(24)16-18-9-7-15(19-16)23-13-5-3-8-17-10-13/h1-10H,11H2
InChIKeyQOCPNRITLAFLGT-UHFFFAOYSA-N
XLogP2.37
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-isoindol-1-one
CID 134341041
2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 46892131
2-(6-propan-2-yl-2-pyridin-3-yloxypyrimidin-4-yl)-3H-1,2-benzothiazole 1,1-dioxide
CID 138743160
2-[2-(3,3-difluorocyclobutyl)oxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide
CID 138742695
2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134342996
2-benzyl-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134342995
2-[2-phenoxy-6-(trifluoromethyl)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide
CID 138742717
4-pyridin-3-yloxypyrimidine
CID 54154490
2-[4-(3,3-difluorocyclobutyl)oxy-6-methylpyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide
CID 138743016
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
2-[(2,6-dichlorophenyl)methyl]-5-pyridin-3-yloxy-3H-1,2-benzothiazole 1,1-dioxide
CID 134343009
2-[2-(4-chlorophenoxy)-6-methoxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(4-chlorophenoxy)-6-methoxypyrimidin-2-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[2-(4-chlorophenoxy)-6-methylpyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxy-N-phenylacetamide;1-[3-[4-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)pyrimidin-2-yl]oxypiperidin-1-yl]ethanone;2-[2-(2-fluorophenoxy)pyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide;2-[6-(4-methoxyphenyl)-2-pyridin-3-yloxypyrimidin-4-yl]-3H-1,2-benzothiazole 1,1-dioxide
CID 162068325

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide (CID 138742690) is 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccccc2CN1c1nccc(Oc2cccnc2)n1.
What is the InChIKey of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is QOCPNRITLAFLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-24(22)14-6-2-1-4-12(14)11-20(24)16-18-9-7-15(19-16)23-13-5-3-8-17-10-13/h1-10H,11H2.
What are the key properties of 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide?
2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 340.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-yloxypyrimidin-2-yl)-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 138742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).