2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole

C10H15N3S — CID 115777326

IUPAC2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CN3CCN2CC3)n1
InChIInChI=1S/C10H15N3S/c1-8-7-14-10(11-8)9-6-12-2-4-13(9)5-3-12/h7,9H,2-6H2,1H3
InChIKeyZCTRRXDXUUMAFG-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.12
Rot. Bonds1

About 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole

2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole (PubChem CID 115777326) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
PubChem CID115777326
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2CN3CCN2CC3)n1
InChIInChI=1S/C10H15N3S/c1-8-7-14-10(11-8)9-6-12-2-4-13(9)5-3-12/h7,9H,2-6H2,1H3
InChIKeyZCTRRXDXUUMAFG-UHFFFAOYSA-N
XLogP1.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole
CID 79969137
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-(methoxymethyl)-1,3-thiazole
CID 107511915
1-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 141271685
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
2-[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79969420
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
CID 19974066
1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 123326617
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79974027
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
CID 167193666
4-tert-butyl-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114359349

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole (CID 115777326) is 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole is Cc1csc(C2CN3CCN2CC3)n1.
What is the InChIKey of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is ZCTRRXDXUUMAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-7-14-10(11-8)9-6-12-2-4-13(9)5-3-12/h7,9H,2-6H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole?
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 209.32 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 115777326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).