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

C16H25N3S — CID 97370017

IUPAC2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CC2)C3)n1
InChIInChI=1S/C16H25N3S/c1-2-14(1)11-19-9-5-16(13-19)3-7-18(8-4-16)12-15-17-6-10-20-15/h6,10,14H,1-5,7-9,11-13H2
InChIKeyVNOJBCFZBWJDQK-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.84
Rot. Bonds4

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

2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (PubChem CID 97370017) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
PubChem CID97370017
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CC2)C3)n1
InChIInChI=1S/C16H25N3S/c1-2-14(1)11-19-9-5-16(13-19)3-7-18(8-4-16)12-15-17-6-10-20-15/h6,10,14H,1-5,7-9,11-13H2
InChIKeyVNOJBCFZBWJDQK-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[(5R)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3234888
2-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
CID 3234760
2-(2,7-Diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
CID 3234046
2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370161
2-[[9-(Cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
CID 97370618
2-[[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97372578
2-(2-azabicyclo[2.2.1]hept-2-yl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 133544181
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
2-[[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]methyl]-1,3-thiazole
CID 175997631
N-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 120857653
(1-Fluorocyclopropyl)-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131685072

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole (CID 97370017) is 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is c1csc(CN2CCC3(CC2)CCN(CC2CC2)C3)n1.
What is the InChIKey of 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
The InChIKey is VNOJBCFZBWJDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-2-14(1)11-19-9-5-16(13-19)3-7-18(8-4-16)12-15-17-6-10-20-15/h6,10,14H,1-5,7-9,11-13H2.
What are the key properties of 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole?
2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole has a molecular weight of 291.46 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).