2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole

C20H27N3S — CID 97137344

IUPAC2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1
InChIInChI=1S/C20H27N3S/c1-2-22-15-18(17-6-4-3-5-7-17)14-20(16-22)8-11-23(12-9-20)19-21-10-13-24-19/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3/t18-/m1/s1
InChIKeyGVEPMESUUMRNRB-GOSISDBHSA-N
MW341.52 g/mol
LogP4.24
Rot. Bonds3

About 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole

2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole (PubChem CID 97137344) has the molecular formula C20H27N3S and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole
PubChem CID97137344
Molecular FormulaC20H27N3S
Molecular Weight341.52 g/mol
Exact Mass341.19
IUPAC Name2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole
SMILESCCN1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1
InChIInChI=1S/C20H27N3S/c1-2-22-15-18(17-6-4-3-5-7-17)14-20(16-22)8-11-23(12-9-20)19-21-10-13-24-19/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3/t18-/m1/s1
InChIKeyGVEPMESUUMRNRB-GOSISDBHSA-N
XLogP4.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carboxamide
CID 97129231
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
(4R)-2-ethyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97130354
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
(4R)-2-ethyl-4-phenyl-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 97444913
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
(4S)-2-ethyl-N,N-dimethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97149228
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
5-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-3-methyl-1,2-oxazole
CID 72921041

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole?
The IUPAC name of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole (CID 97137344) is 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole?
The canonical SMILES for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole is CCN1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1.
What is the InChIKey of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole?
The InChIKey is GVEPMESUUMRNRB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3S/c1-2-22-15-18(17-6-4-3-5-7-17)14-20(16-22)8-11-23(12-9-20)19-21-10-13-24-19/h3-7,10,13,18H,2,8-9,11-12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole?
2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole has a molecular weight of 341.52 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1,3-thiazole is sourced from PubChem (CID 97137344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).