1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

C17H22N4OS2 — CID 97393754

IUPAC1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C17H22N4OS2/c22-16(14-12-23-13-19-14)21-8-3-17(4-9-21)1-6-20(7-2-17)11-15-18-5-10-24-15/h5,10,12-13H,1-4,6-9,11H2
InChIKeyGGBOWLRNBMOPCB-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.12
Rot. Bonds3

About 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone

1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (PubChem CID 97393754) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
PubChem CID97393754
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Name1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1
InChIInChI=1S/C17H22N4OS2/c22-16(14-12-23-13-19-14)21-8-3-17(4-9-21)1-6-20(7-2-17)11-15-18-5-10-24-15/h5,10,12-13H,1-4,6-9,11H2
InChIKeyGGBOWLRNBMOPCB-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone (CID 97393754) is 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is O=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
The InChIKey is GGBOWLRNBMOPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c22-16(14-12-23-13-19-14)21-8-3-17(4-9-21)1-6-20(7-2-17)11-15-18-5-10-24-15/h5,10,12-13H,1-4,6-9,11H2.
What are the key properties of 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone?
1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone has a molecular weight of 362.52 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone is sourced from PubChem (CID 97393754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).