(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

C16H23N3OS — CID 97489971

IUPAC(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CC[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O
InChIInChI=1S/C16H23N3OS/c1-3-7-19-9-6-16(15(19)20)5-4-8-18(12-16)10-14-11-21-13(2)17-14/h3,11H,1,4-10,12H2,2H3/t16-/m1/s1
InChIKeyUGQYQNXGTYHLRS-MRXNPFEDSA-N
MW305.45 g/mol
LogP2.45
Rot. Bonds4

About (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97489971) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97489971
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CC[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O
InChIInChI=1S/C16H23N3OS/c1-3-7-19-9-6-16(15(19)20)5-4-8-18(12-16)10-14-11-21-13(2)17-14/h3,11H,1,4-10,12H2,2H3/t16-/m1/s1
InChIKeyUGQYQNXGTYHLRS-MRXNPFEDSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650844
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490159
(5S)-7-cyclohexyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133364
9-ethylsulfonyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 134075085
9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650323
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131661956
(5R)-7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451405
N,N-dimethyl-1'-[(2-methyl-1,3-thiazol-4-yl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135107490
8-[(1-methylpyrazol-4-yl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449825
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
CID 64944057
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one (CID 97489971) is (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is C=CCN1CC[C@@]2(CCCN(Cc3csc(C)n3)C2)C1=O.
What is the InChIKey of (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is UGQYQNXGTYHLRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-7-19-9-6-16(15(19)20)5-4-8-18(12-16)10-14-11-21-13(2)17-14/h3,11H,1,4-10,12H2,2H3/t16-/m1/s1.
What are the key properties of (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 305.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97489971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).