2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

C17H22N4S — CID 97392832

IUPAC2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1cccc(N2CC3(CCN(Cc4csc(C)n4)C3)C2)n1
InChIInChI=1S/C17H22N4S/c1-13-4-3-5-16(18-13)21-11-17(12-21)6-7-20(10-17)8-15-9-22-14(2)19-15/h3-5,9H,6-8,10-12H2,1-2H3
InChIKeyQRMSZWVXCGDDHK-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.87
Rot. Bonds3

About 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole

2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (PubChem CID 97392832) has the molecular formula C17H22N4S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
PubChem CID97392832
Molecular FormulaC17H22N4S
Molecular Weight314.46 g/mol
Exact Mass314.16
IUPAC Name2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole
SMILESCc1cccc(N2CC3(CCN(Cc4csc(C)n4)C3)C2)n1
InChIInChI=1S/C17H22N4S/c1-13-4-3-5-16(18-13)21-11-17(12-21)6-7-20(10-17)8-15-9-22-14(2)19-15/h3-5,9H,6-8,10-12H2,1-2H3
InChIKeyQRMSZWVXCGDDHK-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

7-[(1-methylpyrazol-4-yl)methyl]-2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octane
CID 97411922
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
2-(dimethylamino)-1-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472556
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134072920
(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373990
2-methyl-4-[[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 122134396
7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(5-methylthiophen-2-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131659854
(5R)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-10-propyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472144
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
(1-methylpyrrol-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155856719
(5R,9R)-2-methyl-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124817310
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole (CID 97392832) is 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is Cc1cccc(N2CC3(CCN(Cc4csc(C)n4)C3)C2)n1.
What is the InChIKey of 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
The InChIKey is QRMSZWVXCGDDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4S/c1-13-4-3-5-16(18-13)21-11-17(12-21)6-7-20(10-17)8-15-9-22-14(2)19-15/h3-5,9H,6-8,10-12H2,1-2H3.
What are the key properties of 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole?
2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole has a molecular weight of 314.46 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97392832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).