4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

C21H29N3S — CID 97113099

IUPAC4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2
InChIInChI=1S/C21H29N3S/c1-17-20(25-16-22-17)14-24-10-8-21(9-11-24)12-19(13-23(2)15-21)18-6-4-3-5-7-18/h3-7,16,19H,8-15H2,1-2H3/t19-/m0/s1
InChIKeyPZGICSPQAQDGNE-IBGZPJMESA-N
MW355.55 g/mol
LogP4.15
Rot. Bonds3

About 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole

4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (PubChem CID 97113099) has the molecular formula C21H29N3S and a molecular weight of 355.55 g/mol. Its IUPAC name is 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
PubChem CID97113099
Molecular FormulaC21H29N3S
Molecular Weight355.55 g/mol
Exact Mass355.21
IUPAC Name4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2
InChIInChI=1S/C21H29N3S/c1-17-20(25-16-22-17)14-24-10-8-21(9-11-24)12-19(13-23(2)15-21)18-6-4-3-5-7-18/h3-7,16,19H,8-15H2,1-2H3/t19-/m0/s1
InChIKeyPZGICSPQAQDGNE-IBGZPJMESA-N
XLogP4.15
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97150369
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole (CID 97113099) is 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2.
What is the InChIKey of 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
The InChIKey is PZGICSPQAQDGNE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3S/c1-17-20(25-16-22-17)14-24-10-8-21(9-11-24)12-19(13-23(2)15-21)18-6-4-3-5-7-18/h3-7,16,19H,8-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole?
4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole has a molecular weight of 355.55 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97113099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).