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

C18H21N5OS — CID 118745430

IUPAC2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1nnc2c1CCN(Cc1nccs1)C2COCc1ccccc1
InChIInChI=1S/C18H21N5OS/c1-22-15-7-9-23(11-17-19-8-10-25-17)16(18(15)20-21-22)13-24-12-14-5-3-2-4-6-14/h2-6,8,10,16H,7,9,11-13H2,1H3
InChIKeyWXHXECRBZSKHBT-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.59
Rot. Bonds6

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

2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (PubChem CID 118745430) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
PubChem CID118745430
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
SMILESCn1nnc2c1CCN(Cc1nccs1)C2COCc1ccccc1
InChIInChI=1S/C18H21N5OS/c1-22-15-7-9-23(11-17-19-8-10-25-17)16(18(15)20-21-22)13-24-12-14-5-3-2-4-6-14/h2-6,8,10,16H,7,9,11-13H2,1H3
InChIKeyWXHXECRBZSKHBT-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

Analyze 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

(4S)-5-[(4-methoxyphenyl)methyl]-1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383171
N,N-dimethyl-2-[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]ethanamine
CID 118746710
N,N,1-trimethyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carboxamide
CID 118739732
1-ethyl-5-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131658268
cyclopent-3-en-1-yl-[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 131652046
2-[[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 131658939
(4R)-1-methyl-4-(prop-2-enoxymethyl)-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 97383146
5-[(4-ethylphenyl)methyl]-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 118742960
5-[(4-methoxyphenyl)methyl]-1-methyl-4-(prop-2-enoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131639439
2-[[(7R)-1-methyl-7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383373
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
5-cyclobutyl-1-(cyclopropylmethyl)-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 131659933

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole (CID 118745430) is 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is Cn1nnc2c1CCN(Cc1nccs1)C2COCc1ccccc1.
What is the InChIKey of 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
The InChIKey is WXHXECRBZSKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-22-15-7-9-23(11-17-19-8-10-25-17)16(18(15)20-21-22)13-24-12-14-5-3-2-4-6-14/h2-6,8,10,16H,7,9,11-13H2,1H3.
What are the key properties of 2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole?
2-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[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-[[1-methyl-4-(phenylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118745430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).