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

C20H19N5OS — CID 2336002

IUPACN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide
SMILESCc1cc(NC(=O)CNCc2ccccc2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C20H19N5OS/c1-14-11-18(23-19(26)13-21-12-15-7-3-2-4-8-15)25(24-14)20-22-16-9-5-6-10-17(16)27-20/h2-11,21H,12-13H2,1H3,(H,23,26)
InChIKeyARTSSBBGQCDGKN-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.52
Rot. Bonds6

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

N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide (PubChem CID 2336002) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide
PubChem CID2336002
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide
SMILESCc1cc(NC(=O)CNCc2ccccc2)n(-c2nc3ccccc3s2)n1
InChIInChI=1S/C20H19N5OS/c1-14-11-18(23-19(26)13-21-12-15-7-3-2-4-8-15)25(24-14)20-22-16-9-5-6-10-17(16)27-20/h2-11,21H,12-13H2,1H3,(H,23,26)
InChIKeyARTSSBBGQCDGKN-UHFFFAOYSA-N
XLogP3.52
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2431643
6-(5-amino-1-ethyl-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(R)-sec-butylbenzo[d]thiazol-2-amine
CID 15987405
2-(1H-indazol-3-ylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968463
1-[2-(Diethylamino)ethyl]-3-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]urea
CID 42598432
1-(4-Benzothiazol-2-yl-piperazin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 649095
1-(Benzo[d]thiazol-2-yl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 756028
2-({4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-benzylacetamide
CID 1632798
N-(1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-5-carboxamide
CID 2118565
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2373971
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2550594
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 4524609

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide (CID 2336002) is N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide is Cc1cc(NC(=O)CNCc2ccccc2)n(-c2nc3ccccc3s2)n1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide?
The InChIKey is ARTSSBBGQCDGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-14-11-18(23-19(26)13-21-12-15-7-3-2-4-8-15)25(24-14)20-22-16-9-5-6-10-17(16)27-20/h2-11,21H,12-13H2,1H3,(H,23,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide?
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(benzylamino)acetamide is sourced from PubChem (CID 2336002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).