2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole

C18H21N5OS — CID 118747092

IUPAC2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1cnc2c1C(COCc1cccnc1)N(Cc1nccs1)CC2
InChIInChI=1S/C18H21N5OS/c1-22-13-21-15-4-7-23(10-17-20-6-8-25-17)16(18(15)22)12-24-11-14-3-2-5-19-9-14/h2-3,5-6,8-9,13,16H,4,7,10-12H2,1H3
InChIKeyBHVXULOTKAOEQK-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.59
Rot. Bonds6

About 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole

2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 118747092) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID118747092
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1cnc2c1C(COCc1cccnc1)N(Cc1nccs1)CC2
InChIInChI=1S/C18H21N5OS/c1-22-13-21-15-4-7-23(10-17-20-6-8-25-17)16(18(15)22)12-24-11-14-3-2-5-19-9-14/h2-3,5-6,8-9,13,16H,4,7,10-12H2,1H3
InChIKeyBHVXULOTKAOEQK-UHFFFAOYSA-N
XLogP2.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 118747092) is 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is Cn1cnc2c1C(COCc1cccnc1)N(Cc1nccs1)CC2.
What is the InChIKey of 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is BHVXULOTKAOEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22-13-21-15-4-7-23(10-17-20-6-8-25-17)16(18(15)22)12-24-11-14-3-2-5-19-9-14/h2-3,5-6,8-9,13,16H,4,7,10-12H2,1H3.
What are the key properties of 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole has a molecular weight of 355.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-4-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118747092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).