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

C17H24N4OS — CID 97475488

IUPAC4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-19-16(11-23-13)7-20-5-15(10-22-9-14-2-3-14)6-21-12-18-4-17(21)8-20/h4,11-12,14-15H,2-3,5-10H2,1H3/t15-/m0/s1
InChIKeyIZIGKPVGTAGMIP-HNNXBMFYSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds6

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

4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 97475488) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID97475488
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1
InChIInChI=1S/C17H24N4OS/c1-13-19-16(11-23-13)7-20-5-15(10-22-9-14-2-3-14)6-21-12-18-4-17(21)8-20/h4,11-12,14-15H,2-3,5-10H2,1H3/t15-/m0/s1
InChIKeyIZIGKPVGTAGMIP-HNNXBMFYSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97381671
4-[[1-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 97520048
4-[[6-(Cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743597
4-[[6-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743603
4-[[6-(Ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
CID 118743608
4-[[8-[(2-Methyl-1,3-thiazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
CID 118746158
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
(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 124843016
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
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
1-(2-isopropyl-1,3-thiazol-4-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56703803
N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
CID 97466922

Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (CID 97475488) is 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1.
What is the InChIKey of 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is IZIGKPVGTAGMIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-19-16(11-23-13)7-20-5-15(10-22-9-14-2-3-14)6-21-12-18-4-17(21)8-20/h4,11-12,14-15H,2-3,5-10H2,1H3/t15-/m0/s1.
What are the key properties of 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97475488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).