2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole

C17H27N3S — CID 97370618

IUPAC2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CC2)CC3)n1
InChIInChI=1S/C17H27N3S/c1-2-15(1)13-19-8-3-17(4-9-19)5-10-20(11-6-17)14-16-18-7-12-21-16/h7,12,15H,1-6,8-11,13-14H2
InChIKeyFGOYLJCABWMWIO-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.23
Rot. Bonds4

About 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole

2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole (PubChem CID 97370618) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
PubChem CID97370618
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole
SMILESc1csc(CN2CCC3(CC2)CCN(CC2CC2)CC3)n1
InChIInChI=1S/C17H27N3S/c1-2-15(1)13-19-8-3-17(4-9-19)5-10-20(11-6-17)14-16-18-7-12-21-16/h7,12,15H,1-6,8-11,13-14H2
InChIKeyFGOYLJCABWMWIO-UHFFFAOYSA-N
XLogP3.23
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
CID 3234760
1-[9-(1,3-Thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 3232808
2-((9-(Methylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)methyl)thiazole
CID 3233035
2-(2,9-Diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole
CID 3233525
2-(2,7-Diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
CID 3234046
2-[(3-Ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370619
2-[(3-Cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370620
2-[[1-(Cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97372578
2-(1-Azabicyclo[2.2.2]octan-3-ylmethyl)-1,3-thiazole
CID 19908364
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
4-[1-(2,2-Dimethylpropyl)-3-pyrrolidinyl]-1-(1,3-thiazol-2-ylmethyl)piperidine
CID 45211104
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-piperidin-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 45238050

Frequently Asked Questions

What is the IUPAC name of 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole (CID 97370618) is 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole is c1csc(CN2CCC3(CC2)CCN(CC2CC2)CC3)n1.
What is the InChIKey of 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
The InChIKey is FGOYLJCABWMWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-2-15(1)13-19-8-3-17(4-9-19)5-10-20(11-6-17)14-16-18-7-12-21-16/h7,12,15H,1-6,8-11,13-14H2.
What are the key properties of 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole?
2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole has a molecular weight of 305.49 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-(cyclopropylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).