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

C14H20N4OS — CID 97462200

IUPAC4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOC[C@H]1CN(Cc2csc(C)n2)Cc2nccn2C1
InChIInChI=1S/C14H20N4OS/c1-11-16-13(10-20-11)7-17-5-12(9-19-2)6-18-4-3-15-14(18)8-17/h3-4,10,12H,5-9H2,1-2H3/t12-/m0/s1
InChIKeyWSSHIVCKQIQNQF-LBPRGKRZSA-N
MW292.41 g/mol
LogP1.93
Rot. Bonds4

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

4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 97462200) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID97462200
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOC[C@H]1CN(Cc2csc(C)n2)Cc2nccn2C1
InChIInChI=1S/C14H20N4OS/c1-11-16-13(10-20-11)7-17-5-12(9-19-2)6-18-4-3-15-14(18)8-17/h3-4,10,12H,5-9H2,1-2H3/t12-/m0/s1
InChIKeyWSSHIVCKQIQNQF-LBPRGKRZSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole (CID 97462200) is 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is COC[C@H]1CN(Cc2csc(C)n2)Cc2nccn2C1.
What is the InChIKey of 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is WSSHIVCKQIQNQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-16-13(10-20-11)7-17-5-12(9-19-2)6-18-4-3-15-14(18)8-17/h3-4,10,12H,5-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 292.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97462200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).