N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide

C15H16N4O2S — CID 166334211

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3[nH]c(=O)sc3c2)n(C(C)C)n1
InChIInChI=1S/C15H16N4O2S/c1-8(2)19-13(6-9(3)18-19)17-14(20)10-4-5-11-12(7-10)22-15(21)16-11/h4-8H,1-3H3,(H,16,21)(H,17,20)
InChIKeyHHAZUGGXBKAIHF-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.93
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide (PubChem CID 166334211) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide
PubChem CID166334211
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(NC(=O)c2ccc3[nH]c(=O)sc3c2)n(C(C)C)n1
InChIInChI=1S/C15H16N4O2S/c1-8(2)19-13(6-9(3)18-19)17-14(20)10-4-5-11-12(7-10)22-15(21)16-11/h4-8H,1-3H3,(H,16,21)(H,17,20)
InChIKeyHHAZUGGXBKAIHF-UHFFFAOYSA-N
XLogP2.93
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide (CID 166334211) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide is Cc1cc(NC(=O)c2ccc3[nH]c(=O)sc3c2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide?
The InChIKey is HHAZUGGXBKAIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-8(2)19-13(6-9(3)18-19)17-14(20)10-4-5-11-12(7-10)22-15(21)16-11/h4-8H,1-3H3,(H,16,21)(H,17,20).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-2-oxo-3H-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 166334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).