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

C15H16N4OS — CID 2431643

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C15H16N4OS/c1-9(2)14(20)17-13-8-10(3)18-19(13)15-16-11-6-4-5-7-12(11)21-15/h4-9H,1-3H3,(H,17,20)
InChIKeyLVCWFMJZUQZIHT-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.38
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide (PubChem CID 2431643) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
PubChem CID2431643
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
SMILESCc1cc(NC(=O)C(C)C)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C15H16N4OS/c1-9(2)14(20)17-13-8-10(3)18-19(13)15-16-11-6-4-5-7-12(11)21-15/h4-9H,1-3H3,(H,17,20)
InChIKeyLVCWFMJZUQZIHT-UHFFFAOYSA-N
XLogP3.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.38
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]-2-methylpropanamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide (CID 2431643) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide is Cc1cc(NC(=O)C(C)C)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
The InChIKey is LVCWFMJZUQZIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9(2)14(20)17-13-8-10(3)18-19(13)15-16-11-6-4-5-7-12(11)21-15/h4-9H,1-3H3,(H,17,20).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide has a molecular weight of 300.39 g/mol, XLogP of 3.38, 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]-2-methylpropanamide is sourced from PubChem (CID 2431643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).