2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole

C19H13N5OS — CID 4826926

IUPAC2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole
SMILESc1ccc(-n2ncc3c(OCc4nc5ccccc5s4)ncnc32)cc1
InChIInChI=1S/C19H13N5OS/c1-2-6-13(7-3-1)24-18-14(10-22-24)19(21-12-20-18)25-11-17-23-15-8-4-5-9-16(15)26-17/h1-10,12H,11H2
InChIKeyVOIUWOJVEZVIJO-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.00
Rot. Bonds4

About 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole

2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole (PubChem CID 4826926) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole
PubChem CID4826926
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole
SMILESc1ccc(-n2ncc3c(OCc4nc5ccccc5s4)ncnc32)cc1
InChIInChI=1S/C19H13N5OS/c1-2-6-13(7-3-1)24-18-14(10-22-24)19(21-12-20-18)25-11-17-23-15-8-4-5-9-16(15)26-17/h1-10,12H,11H2
InChIKeyVOIUWOJVEZVIJO-UHFFFAOYSA-N
XLogP4.00
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-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

4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 2095018
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
7-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4803915
12-(1,3-benzothiazol-2-ylmethoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 2705669
2-[[4-(3,5-diphenylpyrazol-1-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801756
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyethanone
CID 8893922
1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8539191
N-(3,5-dimethoxyphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2122954
2-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 139801721
N-[2-(difluoromethoxy)phenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxyacetamide
CID 2470090
2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]quinoline
CID 112797709
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole (CID 4826926) is 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole is c1ccc(-n2ncc3c(OCc4nc5ccccc5s4)ncnc32)cc1.
What is the InChIKey of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole?
The InChIKey is VOIUWOJVEZVIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c1-2-6-13(7-3-1)24-18-14(10-22-24)19(21-12-20-18)25-11-17-23-15-8-4-5-9-16(15)26-17/h1-10,12H,11H2.
What are the key properties of 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole?
2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole has a molecular weight of 359.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxymethyl]-1,3-benzothiazole is sourced from PubChem (CID 4826926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).