3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide

C24H24N6OS — CID 46213915

IUPAC3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(-c3snnc3C(C)C)c2)nc1
InChIInChI=1S/C24H24N6OS/c1-14(2)22-23(32-30-29-22)19-7-18(21-6-5-15(3)10-27-21)8-20(9-19)24(31)28-13-17-11-25-16(4)26-12-17/h5-12,14H,13H2,1-4H3,(H,28,31)
InChIKeyDRWUOGAXURZYOQ-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.73
Rot. Bonds6

About 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide

3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide (PubChem CID 46213915) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
PubChem CID46213915
Molecular FormulaC24H24N6OS
Molecular Weight444.56 g/mol
Exact Mass444.17
IUPAC Name3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(-c3snnc3C(C)C)c2)nc1
InChIInChI=1S/C24H24N6OS/c1-14(2)22-23(32-30-29-22)19-7-18(21-6-5-15(3)10-27-21)8-20(9-19)24(31)28-13-17-11-25-16(4)26-12-17/h5-12,14H,13H2,1-4H3,(H,28,31)
InChIKeyDRWUOGAXURZYOQ-UHFFFAOYSA-N
XLogP4.73
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide (CID 46213915) is 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide is Cc1ccc(-c2cc(C(=O)NCc3cnc(C)nc3)cc(-c3snnc3C(C)C)c2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
The InChIKey is DRWUOGAXURZYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-14(2)22-23(32-30-29-22)19-7-18(21-6-5-15(3)10-27-21)8-20(9-19)24(31)28-13-17-11-25-16(4)26-12-17/h5-12,14H,13H2,1-4H3,(H,28,31).
What are the key properties of 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide?
3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide has a molecular weight of 444.56 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-N-[(2-methylpyrimidin-5-yl)methyl]-5-(4-propan-2-ylthiadiazol-5-yl)benzamide is sourced from PubChem (CID 46213915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).