9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C16H18N4O2S2 — CID 56751245

IUPAC9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H18N4O2S2/c21-14(11-10-24-13(19-11)12-2-1-9-23-12)20-7-3-16(4-8-20)15(22)17-5-6-18-16/h1-2,9-10,18H,3-8H2,(H,17,22)
InChIKeyOWBPFOJIVZYZEL-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.57
Rot. Bonds2

About 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 56751245) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID56751245
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESO=C(c1csc(-c2cccs2)n1)N1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C16H18N4O2S2/c21-14(11-10-24-13(19-11)12-2-1-9-23-12)20-7-3-16(4-8-20)15(22)17-5-6-18-16/h1-2,9-10,18H,3-8H2,(H,17,22)
InChIKeyOWBPFOJIVZYZEL-UHFFFAOYSA-N
XLogP1.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 56751245) is 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is O=C(c1csc(-c2cccs2)n1)N1CCC2(CC1)NCCNC2=O.
What is the InChIKey of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is OWBPFOJIVZYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c21-14(11-10-24-13(19-11)12-2-1-9-23-12)20-7-3-16(4-8-20)15(22)17-5-6-18-16/h1-2,9-10,18H,3-8H2,(H,17,22).
What are the key properties of 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 362.48 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 56751245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).