4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole

C16H27N3S — CID 64942380

IUPAC4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1cscn1
InChIInChI=1S/C16H27N3S/c1-13(2)15-8-18-16(6-4-3-5-7-16)11-19(15)9-14-10-20-12-17-14/h10,12-13,15,18H,3-9,11H2,1-2H3
InChIKeyRYGPKZMWQINESK-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.28
Rot. Bonds3

About 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole

4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole (PubChem CID 64942380) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
PubChem CID64942380
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CNC2(CCCCC2)CN1Cc1cscn1
InChIInChI=1S/C16H27N3S/c1-13(2)15-8-18-16(6-4-3-5-7-16)11-19(15)9-14-10-20-12-17-14/h10,12-13,15,18H,3-9,11H2,1-2H3
InChIKeyRYGPKZMWQINESK-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole (CID 64942380) is 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole is CC(C)C1CNC2(CCCCC2)CN1Cc1cscn1.
What is the InChIKey of 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
The InChIKey is RYGPKZMWQINESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13(2)15-8-18-16(6-4-3-5-7-16)11-19(15)9-14-10-20-12-17-14/h10,12-13,15,18H,3-9,11H2,1-2H3.
What are the key properties of 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole?
4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole has a molecular weight of 293.48 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-yl-1,4-diazaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 64942380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).