2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole

C12H19N3S — CID 115314298

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CN2CCC3CCC(C2)N3)n1
InChIInChI=1S/C12H19N3S/c1-9-8-16-12(13-9)7-15-5-4-10-2-3-11(6-15)14-10/h8,10-11,14H,2-7H2,1H3
InChIKeyJAWYDRUKWXMPOL-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.78
Rot. Bonds2

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole (PubChem CID 115314298) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
PubChem CID115314298
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
SMILESCc1csc(CN2CCC3CCC(C2)N3)n1
InChIInChI=1S/C12H19N3S/c1-9-8-16-12(13-9)7-15-5-4-10-2-3-11(6-15)14-10/h8,10-11,14H,2-7H2,1H3
InChIKeyJAWYDRUKWXMPOL-UHFFFAOYSA-N
XLogP1.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
3-[(2-chlorothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841988
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4,5-dimethyl-1,3-oxazole
CID 81490315
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methyl-1,2-oxazole;hydrochloride
CID 120966375
2-[[4-(1-ethylpiperidin-4-yl)-1,4-diazepan-1-yl]methyl]-4-methyl-1,3-thiazole
CID 126422753
3-[(2,5-dimethylthiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81490392
4-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-2-methylquinoline
CID 81495492
formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
CID 154912238
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
(2S,3aR,7aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 133139624

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole (CID 115314298) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole is Cc1csc(CN2CCC3CCC(C2)N3)n1.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole?
The InChIKey is JAWYDRUKWXMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-8-16-12(13-9)7-15-5-4-10-2-3-11(6-15)14-10/h8,10-11,14H,2-7H2,1H3.
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole?
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 115314298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).