1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C16H20N4OS2 — CID 97385376

IUPAC1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C16H20N4OS2/c21-15(13-10-22-12-18-13)20-6-2-16(3-7-20)1-5-19(11-16)9-14-17-4-8-23-14/h4,8,10,12H,1-3,5-7,9,11H2
InChIKeyNCNMEFDKKVTLBI-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.73
Rot. Bonds3

About 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97385376) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97385376
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C16H20N4OS2/c21-15(13-10-22-12-18-13)20-6-2-16(3-7-20)1-5-19(11-16)9-14-17-4-8-23-14/h4,8,10,12H,1-3,5-7,9,11H2
InChIKeyNCNMEFDKKVTLBI-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.73
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-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97385376) is 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(c1cscn1)N1CCC2(CCN(Cc3nccs3)C2)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NCNMEFDKKVTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS2/c21-15(13-10-22-12-18-13)20-6-2-16(3-7-20)1-5-19(11-16)9-14-17-4-8-23-14/h4,8,10,12H,1-3,5-7,9,11H2.
What are the key properties of 1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
1,3-thiazol-4-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 348.50 g/mol, XLogP of 2.73, 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-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97385376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).