[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone

C16H21N5O2S — CID 97390209

IUPAC[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C16H21N5O2S/c22-16(14-11-24-12-18-14)20-2-1-15-17-9-13(21(15)4-3-20)10-19-5-7-23-8-6-19/h9,11-12H,1-8,10H2
InChIKeyPVPKWBLUPQADGT-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.87
Rot. Bonds3

About [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone

[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 97390209) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID97390209
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCc2ncc(CN3CCOCC3)n2CC1
InChIInChI=1S/C16H21N5O2S/c22-16(14-11-24-12-18-14)20-2-1-15-17-9-13(21(15)4-3-20)10-19-5-7-23-8-6-19/h9,11-12H,1-8,10H2
InChIKeyPVPKWBLUPQADGT-UHFFFAOYSA-N
XLogP0.87
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone (CID 97390209) is [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCc2ncc(CN3CCOCC3)n2CC1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is PVPKWBLUPQADGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c22-16(14-11-24-12-18-14)20-2-1-15-17-9-13(21(15)4-3-20)10-19-5-7-23-8-6-19/h9,11-12H,1-8,10H2.
What are the key properties of [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone?
[3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 347.44 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97390209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).