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

C15H22N4OS — CID 118746542

IUPAC4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole
SMILESCCN1Cc2nccn2CC(COCc2csc(C)n2)C1
InChIInChI=1S/C15H22N4OS/c1-3-18-6-13(7-19-5-4-16-15(19)8-18)9-20-10-14-11-21-12(2)17-14/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeySWIURJDSDGYVNY-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.32
Rot. Bonds5

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

4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole (PubChem CID 118746542) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole
PubChem CID118746542
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole
SMILESCCN1Cc2nccn2CC(COCc2csc(C)n2)C1
InChIInChI=1S/C15H22N4OS/c1-3-18-6-13(7-19-5-4-16-15(19)8-18)9-20-10-14-11-21-12(2)17-14/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeySWIURJDSDGYVNY-UHFFFAOYSA-N
XLogP2.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethoxymethyl)-1,3-thiazole
CID 118738887
2-[[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-4-methyl-1,3-thiazole
CID 118743112
4-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxymethyl]-2-methyl-1,3-thiazole
CID 118743396
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
6-[(2-Methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 118744573
N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 118744577
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-[[8-(2-Methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 118746535
4-isopropyl-2-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 56755097
6-[(2-Methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118744572

Frequently Asked Questions

What is the IUPAC name of 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole (CID 118746542) is 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole is CCN1Cc2nccn2CC(COCc2csc(C)n2)C1.
What is the InChIKey of 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is SWIURJDSDGYVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-18-6-13(7-19-5-4-16-15(19)8-18)9-20-10-14-11-21-12(2)17-14/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole?
4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 306.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-ethyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methoxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 118746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).