7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

C17H26N4O2S — CID 56756713

IUPAC7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCC(C)c1csc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)n1
InChIInChI=1S/C17H26N4O2S/c1-12(2)13-11-24-14(19-13)15(22)21-9-5-17(6-10-21)16(23)18-7-4-8-20(17)3/h11-12H,4-10H2,1-3H3,(H,18,23)
InChIKeyZRTLOUYSIKOSEE-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.69
Rot. Bonds2

About 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one

7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 56756713) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID56756713
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCC(C)c1csc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)n1
InChIInChI=1S/C17H26N4O2S/c1-12(2)13-11-24-14(19-13)15(22)21-9-5-17(6-10-21)16(23)18-7-4-8-20(17)3/h11-12H,4-10H2,1-3H3,(H,18,23)
InChIKeyZRTLOUYSIKOSEE-UHFFFAOYSA-N
XLogP1.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 56756713) is 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is CC(C)c1csc(C(=O)N2CCC3(CC2)C(=O)NCCCN3C)n1.
What is the InChIKey of 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is ZRTLOUYSIKOSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12(2)13-11-24-14(19-13)15(22)21-9-5-17(6-10-21)16(23)18-7-4-8-20(17)3/h11-12H,4-10H2,1-3H3,(H,18,23).
What are the key properties of 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one?
7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 350.49 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-propan-2-yl-1,3-thiazole-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 56756713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).