2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H23N5O2S — CID 72881262

IUPAC2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(C(=O)c4cscn4)C3)CCC2=O)cn1
InChIInChI=1S/C19H23N5O2S/c1-14-7-21-15(8-20-14)9-24-12-19(5-3-17(24)25)4-2-6-23(11-19)18(26)16-10-27-13-22-16/h7-8,10,13H,2-6,9,11-12H2,1H3
InChIKeyHKXZGTJPPAJWJF-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.29
Rot. Bonds3

About 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72881262) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72881262
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(CN2CC3(CCCN(C(=O)c4cscn4)C3)CCC2=O)cn1
InChIInChI=1S/C19H23N5O2S/c1-14-7-21-15(8-20-14)9-24-12-19(5-3-17(24)25)4-2-6-23(11-19)18(26)16-10-27-13-22-16/h7-8,10,13H,2-6,9,11-12H2,1H3
InChIKeyHKXZGTJPPAJWJF-UHFFFAOYSA-N
XLogP2.29
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72881262) is 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2CC3(CCCN(C(=O)c4cscn4)C3)CCC2=O)cn1.
What is the InChIKey of 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is HKXZGTJPPAJWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-7-21-15(8-20-14)9-24-12-19(5-3-17(24)25)4-2-6-23(11-19)18(26)16-10-27-13-22-16/h7-8,10,13H,2-6,9,11-12H2,1H3.
What are the key properties of 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 385.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylpyrazin-2-yl)methyl]-8-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72881262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).