7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

C17H18N6OS — CID 72843319

IUPAC7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(Cc3csc(-c4cnccn4)n3)[nH]c2C1
InChIInChI=1S/C17H18N6OS/c1-17(2)6-11-14(15(24)20-9-17)23-13(22-11)5-10-8-25-16(21-10)12-7-18-3-4-19-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAZEMXKNLINLQJS-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.23
Rot. Bonds3

About 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one

7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (PubChem CID 72843319) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
PubChem CID72843319
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
SMILESCC1(C)CNC(=O)c2nc(Cc3csc(-c4cnccn4)n3)[nH]c2C1
InChIInChI=1S/C17H18N6OS/c1-17(2)6-11-14(15(24)20-9-17)23-13(22-11)5-10-8-25-16(21-10)12-7-18-3-4-19-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyAZEMXKNLINLQJS-UHFFFAOYSA-N
XLogP2.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one with MolForge

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Related Compounds

7,7-dimethyl-2-(2-pyridin-4-ylethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 56756717
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72925991
7,7-dimethyl-2-[(2R)-2-pyrrolidin-1-ylpropyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 95132023
7,7-dimethyl-2-(oxan-2-ylmethyl)-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50958650
N-cyclohexyl-2-(7,7-dimethyl-4-oxo-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-2-yl)acetamide
CID 50962662
2-[2-(5-cyclopropylpyrazol-1-yl)ethyl]-7,7-dimethyl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 50955763
1-cyclopentyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 131922982
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97147318
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131928581

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The IUPAC name of 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (CID 72843319) is 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one.
What is the SMILES notation for 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The canonical SMILES for 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is CC1(C)CNC(=O)c2nc(Cc3csc(-c4cnccn4)n3)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
The InChIKey is AZEMXKNLINLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-17(2)6-11-14(15(24)20-9-17)23-13(22-11)5-10-8-25-16(21-10)12-7-18-3-4-19-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one?
7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one has a molecular weight of 354.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one is sourced from PubChem (CID 72843319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).