2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

C15H18N4OS2 — CID 118739588

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4nccs4)C3)CC2=O)cs1
InChIInChI=1S/C15H18N4OS2/c1-11-17-12(8-22-11)7-19-10-15(6-13(19)20)2-4-18(9-15)14-16-3-5-21-14/h3,5,8H,2,4,6-7,9-10H2,1H3
InChIKeyBSPGURPJNZWSTL-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118739588) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118739588
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4nccs4)C3)CC2=O)cs1
InChIInChI=1S/C15H18N4OS2/c1-11-17-12(8-22-11)7-19-10-15(6-13(19)20)2-4-18(9-15)14-16-3-5-21-14/h3,5,8H,2,4,6-7,9-10H2,1H3
InChIKeyBSPGURPJNZWSTL-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 118739588) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2CC3(CCN(c4nccs4)C3)CC2=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is BSPGURPJNZWSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c1-11-17-12(8-22-11)7-19-10-15(6-13(19)20)2-4-18(9-15)14-16-3-5-21-14/h3,5,8H,2,4,6-7,9-10H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 334.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3-thiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118739588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).