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

C16H25N5S — CID 97462723

IUPACN-ethyl-N-[[(6S)-8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)C[C@H]1CN(Cc2nccs2)Cc2nccn2C1
InChIInChI=1S/C16H25N5S/c1-3-19(4-2)9-14-10-20(13-16-18-6-8-22-16)12-15-17-5-7-21(15)11-14/h5-8,14H,3-4,9-13H2,1-2H3/t14-/m0/s1
InChIKeyBYZKJNCLRTUWFE-AWEZNQCLSA-N
MW319.48 g/mol
LogP2.31
Rot. Bonds6

About 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

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 (PubChem CID 97462723) has the molecular formula C16H25N5S and a molecular weight of 319.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-ethyl-N-[[(6S)-8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
PubChem CID97462723
Molecular FormulaC16H25N5S
Molecular Weight319.48 g/mol
Exact Mass319.18
IUPAC NameN-ethyl-N-[[(6S)-8-(1,3-thiazol-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
SMILESCCN(CC)C[C@H]1CN(Cc2nccs2)Cc2nccn2C1
InChIInChI=1S/C16H25N5S/c1-3-19(4-2)9-14-10-20(13-16-18-6-8-22-16)12-15-17-5-7-21(15)11-14/h5-8,14H,3-4,9-13H2,1-2H3/t14-/m0/s1
InChIKeyBYZKJNCLRTUWFE-AWEZNQCLSA-N
XLogP2.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-ethyl-N-[[(6R)-8-(thiophen-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 97462718
N-ethyl-N-[[8-(furan-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]ethanamine
CID 133139689
2-[[(6R)-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole
CID 97462413
2-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155829124
N-[(8-cyclopropylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]-N-ethylethanamine
CID 134069048
2-cyclopropyl-1-[6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069047
N,N-dimethyl-1-[8-[(4-methylphenyl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
CID 134069035
1-[(6S)-8-(furan-2-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 97381822
1-[(6S)-6-(diethylaminomethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-pyridin-2-ylethanone
CID 97462730
3-[[(6R)-6-[(dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]benzonitrile
CID 97462652
(6S)-6-(methoxymethyl)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97381732
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C[C@H]1CN(Cc2nccs2)Cc2nccn2C1.
What is the InChIKey of 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?
The InChIKey is BYZKJNCLRTUWFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5S/c1-3-19(4-2)9-14-10-20(13-16-18-6-8-22-16)12-15-17-5-7-21(15)11-14/h5-8,14H,3-4,9-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 319.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97462723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).