2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one

C18H27N3O2S — CID 139013135

IUPAC2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1sc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)nc1C(C)C
InChIInChI=1S/C18H27N3O2S/c1-12(2)16-13(3)24-14(19-16)11-15(22)21-9-6-18(7-10-21)5-8-20(4)17(18)23/h12H,5-11H2,1-4H3
InChIKeyMXFYNVVXDPNPDH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.59
Rot. Bonds3

About 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one

2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 139013135) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID139013135
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1sc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)nc1C(C)C
InChIInChI=1S/C18H27N3O2S/c1-12(2)16-13(3)24-14(19-16)11-15(22)21-9-6-18(7-10-21)5-8-20(4)17(18)23/h12H,5-11H2,1-4H3
InChIKeyMXFYNVVXDPNPDH-UHFFFAOYSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one (CID 139013135) is 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1sc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)nc1C(C)C.
What is the InChIKey of 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is MXFYNVVXDPNPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(2)16-13(3)24-14(19-16)11-15(22)21-9-6-18(7-10-21)5-8-20(4)17(18)23/h12H,5-11H2,1-4H3.
What are the key properties of 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one?
2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 349.50 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 139013135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).