1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C16H23N3OS — CID 118746773

IUPAC1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(Cc3nccs3)C2)N1CC1CC1
InChIInChI=1S/C16H23N3OS/c20-15-4-6-16(19(15)10-13-2-3-13)5-1-8-18(12-16)11-14-17-7-9-21-14/h7,9,13H,1-6,8,10-12H2
InChIKeyKRVRUYQCGDLSAC-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.51
Rot. Bonds4

About 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118746773) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118746773
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(Cc3nccs3)C2)N1CC1CC1
InChIInChI=1S/C16H23N3OS/c20-15-4-6-16(19(15)10-13-2-3-13)5-1-8-18(12-16)11-14-17-7-9-21-14/h7,9,13H,1-6,8,10-12H2
InChIKeyKRVRUYQCGDLSAC-UHFFFAOYSA-N
XLogP2.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118746773) is 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(Cc3nccs3)C2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is KRVRUYQCGDLSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-15-4-6-16(19(15)10-13-2-3-13)5-1-8-18(12-16)11-14-17-7-9-21-14/h7,9,13H,1-6,8,10-12H2.
What are the key properties of 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 305.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118746773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).