1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine

C17H27N3S — CID 63918188

IUPAC1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCC3(CCCC3)CC2)nc1C1CC1
InChIInChI=1S/C17H27N3S/c1-18-12-14-15(13-4-5-13)19-16(21-14)20-10-8-17(9-11-20)6-2-3-7-17/h13,18H,2-12H2,1H3
InChIKeyADLFYFHEPUUVDI-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.90
Rot. Bonds4

About 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 63918188) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID63918188
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(N2CCC3(CCCC3)CC2)nc1C1CC1
InChIInChI=1S/C17H27N3S/c1-18-12-14-15(13-4-5-13)19-16(21-14)20-10-8-17(9-11-20)6-2-3-7-17/h13,18H,2-12H2,1H3
InChIKeyADLFYFHEPUUVDI-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
1-[4-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63915838
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63915972
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[4-cyclopropyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63917159
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
N-[[4-cyclopropyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916847
N-[[4-cyclopropyl-2-(4-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63916226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 63918188) is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(N2CCC3(CCCC3)CC2)nc1C1CC1.
What is the InChIKey of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is ADLFYFHEPUUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-18-12-14-15(13-4-5-13)19-16(21-14)20-10-8-17(9-11-20)6-2-3-7-17/h13,18H,2-12H2,1H3.
What are the key properties of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 305.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63918188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).