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

C15H19N7S — CID 134073690

IUPAC2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2Cc3nccn3CC(Cn3cncn3)C2)cs1
InChIInChI=1S/C15H19N7S/c1-12-19-14(9-23-12)7-20-4-13(6-22-11-16-10-18-22)5-21-3-2-17-15(21)8-20/h2-3,9-11,13H,4-8H2,1H3
InChIKeyQNSYAPZMBNQATC-UHFFFAOYSA-N
MW329.43 g/mol
LogP1.57
Rot. Bonds4

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

2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (PubChem CID 134073690) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
PubChem CID134073690
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2Cc3nccn3CC(Cn3cncn3)C2)cs1
InChIInChI=1S/C15H19N7S/c1-12-19-14(9-23-12)7-20-4-13(6-22-11-16-10-18-22)5-21-3-2-17-15(21)8-20/h2-3,9-11,13H,4-8H2,1H3
InChIKeyQNSYAPZMBNQATC-UHFFFAOYSA-N
XLogP1.57
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-[(6-methyl-2-pyridinyl)methyl]-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155836661
(3-methylcyclobutyl)-[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131681623
8-(oxolan-3-ylmethyl)-6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155826652
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
1-[6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069031
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
(6S)-6-(methoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381732
N-ethyl-N-[[(6S)-8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462723
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
1-[[(6S)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462867
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 63024819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole (CID 134073690) is 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is Cc1nc(CN2Cc3nccn3CC(Cn3cncn3)C2)cs1.
What is the InChIKey of 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
The InChIKey is QNSYAPZMBNQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-12-19-14(9-23-12)7-20-4-13(6-22-11-16-10-18-22)5-21-3-2-17-15(21)8-20/h2-3,9-11,13H,4-8H2,1H3.
What are the key properties of 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole?
2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole has a molecular weight of 329.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[6-(1,2,4-triazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 134073690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).