4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

C18H21N5OS — CID 118745840

IUPAC4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C18H21N5OS/c1-13-17(25-12-21-13)10-22-6-7-23-15(8-20-18(23)14(22)2)11-24-16-4-3-5-19-9-16/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyVHFTYLDZTVEWGH-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.20
Rot. Bonds5

About 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole

4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 118745840) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID118745840
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C18H21N5OS/c1-13-17(25-12-21-13)10-22-6-7-23-15(8-20-18(23)14(22)2)11-24-16-4-3-5-19-9-16/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
InChIKeyVHFTYLDZTVEWGH-UHFFFAOYSA-N
XLogP3.20
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

JK184
CID 1069686
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-propoxyethyl)urea
CID 46873665
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-(1-propan-2-ylimidazol-4-yl)ethyl]urea
CID 122180515
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-(1-propylimidazol-4-yl)ethyl]urea
CID 122180516
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[1-(2-methylpropyl)imidazol-4-yl]ethyl]urea
CID 122180517
1-[2-[1-(2-fluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180518
1-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180519
1-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-[2-[1-(2,2,2-trifluoroethyl)imidazol-4-yl]ethyl]urea
CID 122180521
1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 122180522
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
CID 2877735
CID 2877735
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 118745840) is 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCn2c(COc3cccnc3)cnc2C1C.
What is the InChIKey of 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is VHFTYLDZTVEWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-17(25-12-21-13)10-22-6-7-23-15(8-20-18(23)14(22)2)11-24-16-4-3-5-19-9-16/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3.
What are the key properties of 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole?
4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 355.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 118745840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).