N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide

C13H16N4OS — CID 74552021

IUPACN-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCC1CC(CNC(=O)c2nc3ccccc3s2)NN1
InChIInChI=1S/C13H16N4OS/c1-8-6-9(17-16-8)7-14-12(18)13-15-10-4-2-3-5-11(10)19-13/h2-5,8-9,16-17H,6-7H2,1H3,(H,14,18)
InChIKeyWAZWPFNBQISAJO-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.28
Rot. Bonds3

About N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide

N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 74552021) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID74552021
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESCC1CC(CNC(=O)c2nc3ccccc3s2)NN1
InChIInChI=1S/C13H16N4OS/c1-8-6-9(17-16-8)7-14-12(18)13-15-10-4-2-3-5-11(10)19-13/h2-5,8-9,16-17H,6-7H2,1H3,(H,14,18)
InChIKeyWAZWPFNBQISAJO-UHFFFAOYSA-N
XLogP1.28
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126930312
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 122161792
N'-(2-chloroacetyl)-1,3-benzothiazole-2-carbohydrazide
CID 166414706
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-1,3-benzothiazole-2-carboxamide
CID 95984337
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 146080771
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 95379399
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
CID 90497526
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126919225

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide (CID 74552021) is N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide is CC1CC(CNC(=O)c2nc3ccccc3s2)NN1.
What is the InChIKey of N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is WAZWPFNBQISAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-6-9(17-16-8)7-14-12(18)13-15-10-4-2-3-5-11(10)19-13/h2-5,8-9,16-17H,6-7H2,1H3,(H,14,18).
What are the key properties of N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide?
N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 74552021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).