2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

C16H25N3S — CID 97372578

IUPAC2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CCCN3CC3CC3)CC2)n1
InChIInChI=1S/C16H25N3S/c1-4-16(19(8-1)12-14-2-3-14)5-9-18(10-6-16)13-15-17-7-11-20-15/h7,11,14H,1-6,8-10,12-13H2
InChIKeyYIVBETALBXYBPV-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.98
Rot. Bonds4

About 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole

2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97372578) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97372578
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CCCN3CC3CC3)CC2)n1
InChIInChI=1S/C16H25N3S/c1-4-16(19(8-1)12-14-2-3-14)5-9-18(10-6-16)13-15-17-7-11-20-15/h7,11,14H,1-6,8-10,12-13H2
InChIKeyYIVBETALBXYBPV-UHFFFAOYSA-N
XLogP2.98
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97372578) is 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is c1csc(CN2CCC3(CCCN3CC3CC3)CC2)n1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is YIVBETALBXYBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-4-16(19(8-1)12-14-2-3-14)5-9-18(10-6-16)13-15-17-7-11-20-15/h7,11,14H,1-6,8-10,12-13H2.
What are the key properties of 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 291.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97372578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).