N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide

C15H14N4OS — CID 2325942

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C15H14N4OS/c1-9-8-13(17-14(20)10-6-7-10)19(18-9)15-16-11-4-2-3-5-12(11)21-15/h2-5,8,10H,6-7H2,1H3,(H,17,20)
InChIKeyJZZMLMFYXSRRPT-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.14
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 2325942) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
PubChem CID2325942
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C15H14N4OS/c1-9-8-13(17-14(20)10-6-7-10)19(18-9)15-16-11-4-2-3-5-12(11)21-15/h2-5,8,10H,6-7H2,1H3,(H,17,20)
InChIKeyJZZMLMFYXSRRPT-UHFFFAOYSA-N
XLogP3.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide (CID 2325942) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide is Cc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is JZZMLMFYXSRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-8-13(17-14(20)10-6-7-10)19(18-9)15-16-11-4-2-3-5-12(11)21-15/h2-5,8,10H,6-7H2,1H3,(H,17,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 2325942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).