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

C22H29N3S — CID 72916326

IUPAC4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CN(C3CC3)CC3(CCN(Cc4cscn4)CC3)C2)cc1
InChIInChI=1S/C22H29N3S/c1-2-4-18(5-3-1)19-12-22(16-25(13-19)21-6-7-21)8-10-24(11-9-22)14-20-15-26-17-23-20/h1-5,15,17,19,21H,6-14,16H2
InChIKeyDUMZSCNJOLNXMP-UHFFFAOYSA-N
MW367.56 g/mol
LogP4.38
Rot. Bonds4

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

4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole (PubChem CID 72916326) has the molecular formula C22H29N3S and a molecular weight of 367.56 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
PubChem CID72916326
Molecular FormulaC22H29N3S
Molecular Weight367.56 g/mol
Exact Mass367.21
IUPAC Name4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
SMILESc1ccc(C2CN(C3CC3)CC3(CCN(Cc4cscn4)CC3)C2)cc1
InChIInChI=1S/C22H29N3S/c1-2-4-18(5-3-1)19-12-22(16-25(13-19)21-6-7-21)8-10-24(11-9-22)14-20-15-26-17-23-20/h1-5,15,17,19,21H,6-14,16H2
InChIKeyDUMZSCNJOLNXMP-UHFFFAOYSA-N
XLogP4.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.56
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 95338888
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-(1,3-thiazol-4-ylmethyl)butane-1,4-diamine
CID 135314316
4-(4-Fluorobenzyl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 28730309
4-[[4-[(2-Fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 29151950
4-[[4-[[4-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 45856928
3-[[4-(1,3-Thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzonitrile
CID 47809414
4-[(4-Benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-[[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 53554921
1-(1,3-Thiazol-4-ylmethyl)-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56896035
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(2-phenylethyl)piperazine
CID 165435273
4-[(4-Benzylpiperidin-1-yl)methyl]-2-methyl-1,3-thiazole
CID 172437483

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole (CID 72916326) is 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole is c1ccc(C2CN(C3CC3)CC3(CCN(Cc4cscn4)CC3)C2)cc1.
What is the InChIKey of 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
The InChIKey is DUMZSCNJOLNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3S/c1-2-4-18(5-3-1)19-12-22(16-25(13-19)21-6-7-21)8-10-24(11-9-22)14-20-15-26-17-23-20/h1-5,15,17,19,21H,6-14,16H2.
What are the key properties of 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole?
4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole has a molecular weight of 367.56 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 72916326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).