2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

C23H23N5OS — CID 75418308

IUPAC2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3-n3ccnc3C)s2)c(C)c1
InChIInChI=1S/C23H23N5OS/c1-14-7-8-19(15(2)12-14)23-27-16(3)20(30-23)22(29)26-13-18-6-5-9-25-21(18)28-11-10-24-17(28)4/h5-12H,13H2,1-4H3,(H,26,29)
InChIKeyURFGOTOLOXCPNC-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.55
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 75418308) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID75418308
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3-n3ccnc3C)s2)c(C)c1
InChIInChI=1S/C23H23N5OS/c1-14-7-8-19(15(2)12-14)23-27-16(3)20(30-23)22(29)26-13-18-6-5-9-25-21(18)28-11-10-24-17(28)4/h5-12H,13H2,1-4H3,(H,26,29)
InChIKeyURFGOTOLOXCPNC-UHFFFAOYSA-N
XLogP4.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 75418308) is 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(-c2nc(C)c(C(=O)NCc3cccnc3-n3ccnc3C)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is URFGOTOLOXCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-14-7-8-19(15(2)12-14)23-27-16(3)20(30-23)22(29)26-13-18-6-5-9-25-21(18)28-11-10-24-17(28)4/h5-12H,13H2,1-4H3,(H,26,29).
What are the key properties of 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 417.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-4-methyl-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75418308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).