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

C19H26N4S — CID 97369906

IUPAC2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)cs1
InChIInChI=1S/C19H26N4S/c1-16-21-18(14-24-16)13-22-8-4-19(5-9-22)6-10-23(15-19)12-17-3-2-7-20-11-17/h2-3,7,11,14H,4-6,8-10,12-13,15H2,1H3
InChIKeyUUVNVDPAIFUKSY-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.33
Rot. Bonds4

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

2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97369906) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97369906
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)cs1
InChIInChI=1S/C19H26N4S/c1-16-21-18(14-24-16)13-22-8-4-19(5-9-22)6-10-23(15-19)12-17-3-2-7-20-11-17/h2-3,7,11,14H,4-6,8-10,12-13,15H2,1H3
InChIKeyUUVNVDPAIFUKSY-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-(pyridin-3-ylmethyl)spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazine-8,3'-pyrrolidine]-3,4-dione
CID 131669953
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1'-(pyridin-3-ylmethyl)spiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134070038
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 134077416
2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
CID 97392832
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077901
2-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171705447
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42405573
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
11-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131651335

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97369906) is 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC3(CC2)CCN(Cc2cccnc2)C3)cs1.
What is the InChIKey of 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is UUVNVDPAIFUKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-16-21-18(14-24-16)13-22-8-4-19(5-9-22)6-10-23(15-19)12-17-3-2-7-20-11-17/h2-3,7,11,14H,4-6,8-10,12-13,15H2,1H3.
What are the key properties of 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 342.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97369906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).