5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

C19H25F3N4O3S — CID 155838315

IUPAC5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1Cc2cncn2CC(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-13-17(23-12-19-13)8-20-5-15(10-22-9-14-2-3-14)6-21-11-18-4-16(21)7-20;3-2(4,5)1(6)7/h4,11-12,14-15H,2-3,5-10H2,1H3;(H,6,7)
InChIKeyDGLHJISAYJCAOW-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.34
Rot. Bonds6

About 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid

5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (PubChem CID 155838315) has the molecular formula C19H25F3N4O3S and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
PubChem CID155838315
Molecular FormulaC19H25F3N4O3S
Molecular Weight446.50 g/mol
Exact Mass446.16
IUPAC Name5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1Cc2cncn2CC(COCC2CC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N4OS.C2HF3O2/c1-13-17(23-12-19-13)8-20-5-15(10-22-9-14-2-3-14)6-21-11-18-4-16(21)7-20;3-2(4,5)1(6)7/h4,11-12,14-15H,2-3,5-10H2,1H3;(H,6,7)
InChIKeyDGLHJISAYJCAOW-UHFFFAOYSA-N
XLogP3.34
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-[[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743133
4-[[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743404
2-[[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743406
4-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743596
4-[[6-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743602
4-[[6-(Ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118743607
2-Methyl-4-[[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 118744930
4-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155825644
N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832586
2-[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 155839842
N-ethyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155840483
2-Methyl-4-[[1-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155857634

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid (CID 155838315) is 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is Cc1ncsc1CN1Cc2cncn2CC(COCC2CC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
The InChIKey is DGLHJISAYJCAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.C2HF3O2/c1-13-17(23-12-19-13)8-20-5-15(10-22-9-14-2-3-14)6-21-11-18-4-16(21)7-20;3-2(4,5)1(6)7/h4,11-12,14-15H,2-3,5-10H2,1H3;(H,6,7).
What are the key properties of 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid?
5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid has a molecular weight of 446.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-4-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).