4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H30N4O3S — CID 134810868

IUPAC4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)OC3(CCN(C(=O)CCc4ccccn4)CC3)C2(C)c2ccccc2)cs1
InChIInChI=1S/C27H30N4O3S/c1-20-29-23(19-35-20)18-31-25(33)34-27(26(31,2)21-8-4-3-5-9-21)13-16-30(17-14-27)24(32)12-11-22-10-6-7-15-28-22/h3-10,15,19H,11-14,16-18H2,1-2H3
InChIKeyQADFYSSAQMIZGZ-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.71
Rot. Bonds6

About 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810868) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810868
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)OC3(CCN(C(=O)CCc4ccccn4)CC3)C2(C)c2ccccc2)cs1
InChIInChI=1S/C27H30N4O3S/c1-20-29-23(19-35-20)18-31-25(33)34-27(26(31,2)21-8-4-3-5-9-21)13-16-30(17-14-27)24(32)12-11-22-10-6-7-15-28-22/h3-10,15,19H,11-14,16-18H2,1-2H3
InChIKeyQADFYSSAQMIZGZ-UHFFFAOYSA-N
XLogP4.71
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810868) is 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)OC3(CCN(C(=O)CCc4ccccn4)CC3)C2(C)c2ccccc2)cs1.
What is the InChIKey of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QADFYSSAQMIZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-20-29-23(19-35-20)18-31-25(33)34-27(26(31,2)21-8-4-3-5-9-21)13-16-30(17-14-27)24(32)12-11-22-10-6-7-15-28-22/h3-10,15,19H,11-14,16-18H2,1-2H3.
What are the key properties of 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 490.63 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-8-(3-pyridin-2-ylpropanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).