2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole

C12H9N3OS — CID 138807740

IUPAC2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
SMILESCc1nc2cc(Oc3cncnc3)ccc2s1
InChIInChI=1S/C12H9N3OS/c1-8-15-11-4-9(2-3-12(11)17-8)16-10-5-13-7-14-6-10/h2-7H,1H3
InChIKeySFZKARUKWLTPSG-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.19
Rot. Bonds2

About 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole

2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole (PubChem CID 138807740) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
PubChem CID138807740
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
SMILESCc1nc2cc(Oc3cncnc3)ccc2s1
InChIInChI=1S/C12H9N3OS/c1-8-15-11-4-9(2-3-12(11)17-8)16-10-5-13-7-14-6-10/h2-7H,1H3
InChIKeySFZKARUKWLTPSG-UHFFFAOYSA-N
XLogP3.19
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole 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

ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
2-methyl-5-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazole
CID 89461022
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
hydroxy-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-sulfanylidene-λ4-sulfane
CID 58683338
3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridin-2-amine
CID 139598514
sodium 2-methyl-5-sulfidosulfinyloxy-1,3-benzothiazole
CID 58683337
6-(4-chlorophenoxy)-2-methyl-1,3-benzothiazole
CID 134093726
N-ethyl-6-[(2-methyl-1,3-benzothiazol-5-yl)oxy]pyridazin-3-amine
CID 139599377
2-methyl-5-methylsulfanyl-1,3-benzothiazole
CID 10954473
5-[(4-chlorophenyl)methoxy]-2-methyl-1,3-benzothiazole
CID 171855018
1-methyl-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]quinolin-2-one
CID 139599198
(1R)-1-[4-ethyl-5-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-1,2,4-triazol-3-yl]ethanamine
CID 58499934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole (CID 138807740) is 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole is Cc1nc2cc(Oc3cncnc3)ccc2s1.
What is the InChIKey of 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole?
The InChIKey is SFZKARUKWLTPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-8-15-11-4-9(2-3-12(11)17-8)16-10-5-13-7-14-6-10/h2-7H,1H3.
What are the key properties of 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole?
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole has a molecular weight of 243.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole is sourced from PubChem (CID 138807740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).