7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C18H25N3O2S — CID 45189523

IUPAC7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cs1
InChIInChI=1S/C18H25N3O2S/c1-13-19-15(11-24-13)16(22)21-9-7-18(12-21)6-3-8-20(17(18)23)10-14-4-2-5-14/h11,14H,2-10,12H2,1H3
InChIKeyWTAWONMTFASIDR-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.71
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45189523) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45189523
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cs1
InChIInChI=1S/C18H25N3O2S/c1-13-19-15(11-24-13)16(22)21-9-7-18(12-21)6-3-8-20(17(18)23)10-14-4-2-5-14/h11,14H,2-10,12H2,1H3
InChIKeyWTAWONMTFASIDR-UHFFFAOYSA-N
XLogP2.71
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45189523) is 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(C(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)cs1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WTAWONMTFASIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-19-15(11-24-13)16(22)21-9-7-18(12-21)6-3-8-20(17(18)23)10-14-4-2-5-14/h11,14H,2-10,12H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 347.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(2-methyl-1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45189523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).