4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole

C12H18N2S — CID 128703588

IUPAC4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
SMILESc1nc(CN2CC3(CCCCC3)C2)cs1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)8-14(9-12)6-11-7-15-10-13-11/h7,10H,1-6,8-9H2
InChIKeyGNTPJTIEPYGAJF-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.91
Rot. Bonds2

About 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole

4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole (PubChem CID 128703588) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
PubChem CID128703588
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
SMILESc1nc(CN2CC3(CCCCC3)C2)cs1
InChIInChI=1S/C12H18N2S/c1-2-4-12(5-3-1)8-14(9-12)6-11-7-15-10-13-11/h7,10H,1-6,8-9H2
InChIKeyGNTPJTIEPYGAJF-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole (CID 128703588) is 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole is c1nc(CN2CC3(CCCCC3)C2)cs1.
What is the InChIKey of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole?
The InChIKey is GNTPJTIEPYGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-12(5-3-1)8-14(9-12)6-11-7-15-10-13-11/h7,10H,1-6,8-9H2.
What are the key properties of 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole?
4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole has a molecular weight of 222.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 128703588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).