[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone

C15H19N5OS — CID 56802174

IUPAC[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c1-12-18-13(11-22-12)10-19-5-2-6-20(8-7-19)15(21)14-9-16-3-4-17-14/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyUFNKEUAUYLQWKM-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.59
Rot. Bonds3

About [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone

[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56802174) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
PubChem CID56802174
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)cs1
InChIInChI=1S/C15H19N5OS/c1-12-18-13(11-22-12)10-19-5-2-6-20(8-7-19)15(21)14-9-16-3-4-17-14/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyUFNKEUAUYLQWKM-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone (CID 56802174) is [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone is Cc1nc(CN2CCCN(C(=O)c3cnccn3)CC2)cs1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UFNKEUAUYLQWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-12-18-13(11-22-12)10-19-5-2-6-20(8-7-19)15(21)14-9-16-3-4-17-14/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone?
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 317.42 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56802174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).