2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole

C19H22N4OS — CID 131668827

IUPAC2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
SMILESCOCCn1ccnc1C1CN(Cc2nccs2)Cc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-24-10-9-23-8-6-21-19(23)17-13-22(14-18-20-7-11-25-18)12-15-4-2-3-5-16(15)17/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyBGDHMPQXDPCTQJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.13
Rot. Bonds6

About 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole

2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole (PubChem CID 131668827) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
PubChem CID131668827
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole
SMILESCOCCn1ccnc1C1CN(Cc2nccs2)Cc2ccccc21
InChIInChI=1S/C19H22N4OS/c1-24-10-9-23-8-6-21-19(23)17-13-22(14-18-20-7-11-25-18)12-15-4-2-3-5-16(15)17/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyBGDHMPQXDPCTQJ-UHFFFAOYSA-N
XLogP3.13
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[(2-fluorophenyl)methyl]-4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinoline;2,2,2-trifluoroacetic acid
CID 155827869
4-[1-(2-methoxyethyl)imidazol-2-yl]-2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline;2,2,2-trifluoroacetic acid
CID 155831020
2-[[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3719755
2-methyl-4-[[2-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)imidazol-1-yl]methyl]-1,3-thiazole
CID 131668840
(1S)-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 70746404
2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3676593
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
2-[[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739275
2-[[7-(cyclopropylmethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739801
(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
CID 125454365
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
2-[(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 165428527

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole (CID 131668827) is 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole is COCCn1ccnc1C1CN(Cc2nccs2)Cc2ccccc21.
What is the InChIKey of 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole?
The InChIKey is BGDHMPQXDPCTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-24-10-9-23-8-6-21-19(23)17-13-22(14-18-20-7-11-25-18)12-15-4-2-3-5-16(15)17/h2-8,11,17H,9-10,12-14H2,1H3.
What are the key properties of 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole?
2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(2-methoxyethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131668827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).