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

C14H17N5OS2 — CID 131652910

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4nncs4)C3)CC2=O)cs1
InChIInChI=1S/C14H17N5OS2/c1-10-16-11(6-21-10)5-19-8-14(4-12(19)20)2-3-18(7-14)13-17-15-9-22-13/h6,9H,2-5,7-8H2,1H3
InChIKeyIWRIEXDNKLPGGI-UHFFFAOYSA-N
MW335.46 g/mol
LogP1.93
Rot. Bonds3

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

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131652910) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131652910
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1nc(CN2CC3(CCN(c4nncs4)C3)CC2=O)cs1
InChIInChI=1S/C14H17N5OS2/c1-10-16-11(6-21-10)5-19-8-14(4-12(19)20)2-3-18(7-14)13-17-15-9-22-13/h6,9H,2-5,7-8H2,1H3
InChIKeyIWRIEXDNKLPGGI-UHFFFAOYSA-N
XLogP1.93
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131652910) is 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-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-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1nc(CN2CC3(CCN(c4nncs4)C3)CC2=O)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is IWRIEXDNKLPGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c1-10-16-11(6-21-10)5-19-8-14(4-12(19)20)2-3-18(7-14)13-17-15-9-22-13/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one?
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 335.46 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(1,3,4-thiadiazol-2-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131652910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).