6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one

C16H26N4OS — CID 23554755

IUPAC6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
SMILESCCN1CCC(CN2CCc3ncsc3C(NC)C2=O)CC1
InChIInChI=1S/C16H26N4OS/c1-3-19-7-4-12(5-8-19)10-20-9-6-13-15(22-11-18-13)14(17-2)16(20)21/h11-12,14,17H,3-10H2,1-2H3
InChIKeyQEMYHDIPVYIPGM-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.52
Rot. Bonds4

About 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one

6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one (PubChem CID 23554755) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
PubChem CID23554755
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
SMILESCCN1CCC(CN2CCc3ncsc3C(NC)C2=O)CC1
InChIInChI=1S/C16H26N4OS/c1-3-19-7-4-12(5-8-19)10-20-9-6-13-15(22-11-18-13)14(17-2)16(20)21/h11-12,14,17H,3-10H2,1-2H3
InChIKeyQEMYHDIPVYIPGM-UHFFFAOYSA-N
XLogP1.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554653
6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554545
8-(methylamino)-6-(1,2,4-thiadiazol-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554477
6-(2,3-dihydrothiophen-3-ylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 71094744
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554761
6-[(1,1-dioxothian-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554705
6-cyclobut-2-en-1-yl-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(3-methylcyclohex-2-en-1-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 90941448
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-[(1-ethylpiperidin-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one
CID 20798925
8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 23554622
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-7-methylideneazepan-2-one
CID 89340985

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one (CID 23554755) is 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one is CCN1CCC(CN2CCc3ncsc3C(NC)C2=O)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
The InChIKey is QEMYHDIPVYIPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-3-19-7-4-12(5-8-19)10-20-9-6-13-15(22-11-18-13)14(17-2)16(20)21/h11-12,14,17H,3-10H2,1-2H3.
What are the key properties of 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one?
6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one has a molecular weight of 322.48 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).