2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole

C12H11N3S — CID 155914940

IUPAC2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3ccn(C)n3)ccc2s1
InChIInChI=1S/C12H11N3S/c1-8-13-11-7-9(3-4-12(11)16-8)10-5-6-15(2)14-10/h3-7H,1-2H3
InChIKeyNURSAVZRWXVHSG-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.01
Rot. Bonds1

About 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole

2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole (PubChem CID 155914940) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
PubChem CID155914940
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3ccn(C)n3)ccc2s1
InChIInChI=1S/C12H11N3S/c1-8-13-11-7-9(3-4-12(11)16-8)10-5-6-15(2)14-10/h3-7H,1-2H3
InChIKeyNURSAVZRWXVHSG-UHFFFAOYSA-N
XLogP3.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
3-methyl-2-(2-methyl-1,3-benzothiazol-5-yl)imidazole-4-carboxylic acid
CID 155913120
2-[4-(2-methyl-1,3-benzothiazol-5-yl)pyrazol-1-yl]ethanamine
CID 155912615
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole (CID 155914940) is 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole is Cc1nc2cc(-c3ccn(C)n3)ccc2s1.
What is the InChIKey of 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is NURSAVZRWXVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-8-13-11-7-9(3-4-12(11)16-8)10-5-6-15(2)14-10/h3-7H,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole?
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole has a molecular weight of 229.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 155914940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).