N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide

C20H20N6OS — CID 66723764

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C20H20N6OS/c1-12-7-18(21)24-13(2)15(12)9-22-20(27)14-8-23-26(10-14)11-19-25-16-5-3-4-6-17(16)28-19/h3-8,10H,9,11H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeyJYZQONPRENTMRB-UHFFFAOYSA-N
MW392.49 g/mol
LogP3.07
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 66723764) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID66723764
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2nc3ccccc3s2)c1
InChIInChI=1S/C20H20N6OS/c1-12-7-18(21)24-13(2)15(12)9-22-20(27)14-8-23-26(10-14)11-19-25-16-5-3-4-6-17(16)28-19/h3-8,10H,9,11H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeyJYZQONPRENTMRB-UHFFFAOYSA-N
XLogP3.07
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-N-methyl-2-(1H-pyrazol-1-yl)benzamide
CID 118034890
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91809176
2-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,3-thiazole-5-carboxamide
CID 118139251
Diaminopyridine analog 4
CID 71656368
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1H-pyrazol-1-yl)benzamide
CID 118025684
2-[6-(1,3-benzothiazol-6-ylamino)-4-(propan-2-ylamino)-3-pyridinyl]-N,5-dimethyl-1,3-thiazole-4-carboxamide
CID 71612615
2-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 134396216
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]pyrazole-5-carboxamide
CID 165415088
N-(1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16390934
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42376514
2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 155517577
N-[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155524399

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide (CID 66723764) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2nc3ccccc3s2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is JYZQONPRENTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-12-7-18(21)24-13(2)15(12)9-22-20(27)14-8-23-26(10-14)11-19-25-16-5-3-4-6-17(16)28-19/h3-8,10H,9,11H2,1-2H3,(H2,21,24)(H,22,27).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 66723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).