4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole

C19H25N3S — CID 120907242

IUPAC4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCC4(CCNCC4)C3)cs2)cc1
InChIInChI=1S/C19H25N3S/c1-15-2-4-16(5-3-15)18-21-17(13-23-18)12-22-11-8-19(14-22)6-9-20-10-7-19/h2-5,13,20H,6-12,14H2,1H3
InChIKeyTUCMNWXVEMUYGZ-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.69
Rot. Bonds3

About 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole

4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 120907242) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
PubChem CID120907242
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CN3CCC4(CCNCC4)C3)cs2)cc1
InChIInChI=1S/C19H25N3S/c1-15-2-4-16(5-3-15)18-21-17(13-23-18)12-22-11-8-19(14-22)6-9-20-10-7-19/h2-5,13,20H,6-12,14H2,1H3
InChIKeyTUCMNWXVEMUYGZ-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120907391
4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole;hydrochloride
CID 120907679
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
N-cyclopropyl-N-[4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 120906536
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907296
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906860
[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propylpyrrolidin-3-yl]methanol
CID 126808222
4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
CID 120907731
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole (CID 120907242) is 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(CN3CCC4(CCNCC4)C3)cs2)cc1.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is TUCMNWXVEMUYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-15-2-4-16(5-3-15)18-21-17(13-23-18)12-22-11-8-19(14-22)6-9-20-10-7-19/h2-5,13,20H,6-12,14H2,1H3.
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole?
4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 327.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 120907242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).