N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C20H19N5OS — CID 25284548

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccnn3C)sc2c1
InChIInChI=1S/C20H19N5OS/c1-13-9-14(2)18-17(10-13)27-20(23-18)25(12-15-5-4-7-21-11-15)19(26)16-6-8-22-24(16)3/h4-11H,12H2,1-3H3
InChIKeyOBKTZGAEVGLEBM-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.89
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 25284548) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID25284548
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccnn3C)sc2c1
InChIInChI=1S/C20H19N5OS/c1-13-9-14(2)18-17(10-13)27-20(23-18)25(12-15-5-4-7-21-11-15)19(26)16-6-8-22-24(16)3/h4-11H,12H2,1-3H3
InChIKeyOBKTZGAEVGLEBM-UHFFFAOYSA-N
XLogP3.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 25284548) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)c3ccnn3C)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is OBKTZGAEVGLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-13-9-14(2)18-17(10-13)27-20(23-18)25(12-15-5-4-7-21-11-15)19(26)16-6-8-22-24(16)3/h4-11H,12H2,1-3H3.
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).