2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole

C17H18FN5OS — CID 131653975

IUPAC2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESFc1cccnc1OCC1CN(Cc2nccs2)Cc2cncn2C1
InChIInChI=1S/C17H18FN5OS/c18-15-2-1-3-21-17(15)24-11-13-7-22(10-16-20-4-5-25-16)9-14-6-19-12-23(14)8-13/h1-6,12-13H,7-11H2
InChIKeyWFWOENFHURBSKP-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.58
Rot. Bonds5

About 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole

2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (PubChem CID 131653975) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
PubChem CID131653975
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESFc1cccnc1OCC1CN(Cc2nccs2)Cc2cncn2C1
InChIInChI=1S/C17H18FN5OS/c18-15-2-1-3-21-17(15)24-11-13-7-22(10-16-20-4-5-25-16)9-14-6-19-12-23(14)8-13/h1-6,12-13H,7-11H2
InChIKeyWFWOENFHURBSKP-UHFFFAOYSA-N
XLogP2.58
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97487643
[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(furan-3-yl)methanone
CID 133141690
6-[(3-fluoro-2-pyridinyl)oxymethyl]-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155845736
2-[[(6R)-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97462413
(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124782593
2-methyl-4-[[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97476138
2-[[(7S)-7-(cyclopropylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-1,3-thiazole
CID 97463509
1-[(5R)-5-[(3-fluoro-2-pyridinyl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 124788233
N,N-dimethyl-2-[[(6R)-8-(pyridin-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 97485733
[6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155824495
6-[[(6R)-8-benzyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]pyridine-3-carbonitrile
CID 97477938
(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 124783528

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (CID 131653975) is 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is Fc1cccnc1OCC1CN(Cc2nccs2)Cc2cncn2C1.
What is the InChIKey of 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The InChIKey is WFWOENFHURBSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c18-15-2-1-3-21-17(15)24-11-13-7-22(10-16-20-4-5-25-16)9-14-6-19-12-23(14)8-13/h1-6,12-13H,7-11H2.
What are the key properties of 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole has a molecular weight of 359.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(3-fluoro-2-pyridinyl)oxymethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131653975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).