N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide

C13H13N5OS — CID 66767946

IUPACN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1
InChIInChI=1S/C13H13N5OS/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13/h3-5H,1-2H3,(H,15,19)(H3,14,17,18)
InChIKeyNNIZGWWKOQEOAW-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.54
Rot. Bonds2

About N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide

N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide (PubChem CID 66767946) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide
PubChem CID66767946
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1
InChIInChI=1S/C13H13N5OS/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13/h3-5H,1-2H3,(H,15,19)(H3,14,17,18)
InChIKeyNNIZGWWKOQEOAW-UHFFFAOYSA-N
XLogP2.54
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide (CID 66767946) is N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3c(N)n[nH]c3C)sc2c1.
What is the InChIKey of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is NNIZGWWKOQEOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-6-11(12(14)18-17-6)13-16-9-4-3-8(15-7(2)19)5-10(9)20-13/h3-5H,1-2H3,(H,15,19)(H3,14,17,18).
What are the key properties of N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide?
N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 287.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 66767946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).