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

C17H25N5OS — CID 118746158

IUPAC4-[[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESCc1nc(CN2Cc3nccn3CC(CN3CCOCC3)C2)cs1
InChIInChI=1S/C17H25N5OS/c1-14-19-16(13-24-14)11-21-9-15(8-20-4-6-23-7-5-20)10-22-3-2-18-17(22)12-21/h2-3,13,15H,4-12H2,1H3
InChIKeyMNRKANROLNXJBA-UHFFFAOYSA-N
MW347.49 g/mol
LogP1.61
Rot. Bonds4

About 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

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 (PubChem CID 118746158) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
PubChem CID118746158
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name4-[[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]morpholine
SMILESCc1nc(CN2Cc3nccn3CC(CN3CCOCC3)C2)cs1
InChIInChI=1S/C17H25N5OS/c1-14-19-16(13-24-14)11-21-9-15(8-20-4-6-23-7-5-20)10-22-3-2-18-17(22)12-21/h2-3,13,15H,4-12H2,1H3
InChIKeyMNRKANROLNXJBA-UHFFFAOYSA-N
XLogP1.61
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CN2Cc3nccn3CC(CN3CCOCC3)C2)cs1.
What is the InChIKey of 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?
The InChIKey is MNRKANROLNXJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-14-19-16(13-24-14)11-21-9-15(8-20-4-6-23-7-5-20)10-22-3-2-18-17(22)12-21/h2-3,13,15H,4-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 347.49 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118746158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).