methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate

C15H14N4O3S — CID 16952817

IUPACmethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cc(C)nn3C)sc2c1
InChIInChI=1S/C15H14N4O3S/c1-8-6-11(19(2)18-8)13(20)17-15-16-10-5-4-9(14(21)22-3)7-12(10)23-15/h4-7H,1-3H3,(H,16,17,20)
InChIKeyJZCAZNBUZDHZSH-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate

methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate (PubChem CID 16952817) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
PubChem CID16952817
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Namemethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)c1ccc2nc(NC(=O)c3cc(C)nn3C)sc2c1
InChIInChI=1S/C15H14N4O3S/c1-8-6-11(19(2)18-8)13(20)17-15-16-10-5-4-9(14(21)22-3)7-12(10)23-15/h4-7H,1-3H3,(H,16,17,20)
InChIKeyJZCAZNBUZDHZSH-UHFFFAOYSA-N
XLogP2.38
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate (CID 16952817) is methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate is COC(=O)c1ccc2nc(NC(=O)c3cc(C)nn3C)sc2c1.
What is the InChIKey of methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate?
The InChIKey is JZCAZNBUZDHZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-8-6-11(19(2)18-8)13(20)17-15-16-10-5-4-9(14(21)22-3)7-12(10)23-15/h4-7H,1-3H3,(H,16,17,20).
What are the key properties of methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate?
methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 16952817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).