4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione

C12H16N4O3S — CID 142739054

IUPAC4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(C)c2nc(N3CCOCC3)sc2C1=O
InChIInChI=1S/C12H16N4O3S/c1-14-7-8(17)15(2)10-9(11(14)18)20-12(13-10)16-3-5-19-6-4-16/h3-7H2,1-2H3
InChIKeyGNPYUMSRCOXMGB-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.03
Rot. Bonds1

About 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione

4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione (PubChem CID 142739054) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione.

Molecular Properties

Compound Name4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
PubChem CID142739054
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
SMILESCN1CC(=O)N(C)c2nc(N3CCOCC3)sc2C1=O
InChIInChI=1S/C12H16N4O3S/c1-14-7-8(17)15(2)10-9(11(14)18)20-12(13-10)16-3-5-19-6-4-16/h3-7H2,1-2H3
InChIKeyGNPYUMSRCOXMGB-UHFFFAOYSA-N
XLogP0.03
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione 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

4-benzyl-7-methyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione
CID 142739065
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
4-(5-methyl-2-morpholin-4-yl-1,3-thiazol-4-yl)morpholine
CID 59034806
5-methyl-2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 11998448
6,6-dimethyl-2-morpholin-4-yl-7,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-4-one
CID 11999034
4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 58663759
5-morpholin-4-yl-1,2,4-thiadiazol-3-one
CID 89274261
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
CID 154878988
2-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427984
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The IUPAC name of 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione (CID 142739054) is 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione.
What is the SMILES notation for 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The canonical SMILES for 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione is CN1CC(=O)N(C)c2nc(N3CCOCC3)sc2C1=O.
What is the InChIKey of 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
The InChIKey is GNPYUMSRCOXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-14-7-8(17)15(2)10-9(11(14)18)20-12(13-10)16-3-5-19-6-4-16/h3-7H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione?
4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione has a molecular weight of 296.35 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-morpholin-4-yl-6H-[1,3]thiazolo[4,5-e][1,4]diazepine-5,8-dione is sourced from PubChem (CID 142739054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).