N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

C23H23N5O2S — CID 31336101

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN1CCc2nc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)sc2C1
InChIInChI=1S/C23H23N5O2S/c1-27-12-11-18-20(13-27)31-23(25-18)26-22(29)14-28-19-10-6-5-9-17(19)24-21(28)15-30-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,25,26,29)
InChIKeyPCEWJFCQQNTZBD-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.70
Rot. Bonds6

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 31336101) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
PubChem CID31336101
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
SMILESCN1CCc2nc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)sc2C1
InChIInChI=1S/C23H23N5O2S/c1-27-12-11-18-20(13-27)31-23(25-18)26-22(29)14-28-19-10-6-5-9-17(19)24-21(28)15-30-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,25,26,29)
InChIKeyPCEWJFCQQNTZBD-UHFFFAOYSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide (CID 31336101) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is CN1CCc2nc(NC(=O)Cn3c(COc4ccccc4)nc4ccccc43)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is PCEWJFCQQNTZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-27-12-11-18-20(13-27)31-23(25-18)26-22(29)14-28-19-10-6-5-9-17(19)24-21(28)15-30-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,25,26,29).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31336101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).