N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine

C15H24N2OS — CID 79895206

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1csc(CNC2CCOC3(CCCCC3)C2)n1
InChIInChI=1S/C15H24N2OS/c1-12-11-19-14(17-12)10-16-13-5-8-18-15(9-13)6-3-2-4-7-15/h11,13,16H,2-10H2,1H3
InChIKeyLKKPEOINPDBBRW-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.42
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895206) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895206
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESCc1csc(CNC2CCOC3(CCCCC3)C2)n1
InChIInChI=1S/C15H24N2OS/c1-12-11-19-14(17-12)10-16-13-5-8-18-15(9-13)6-3-2-4-7-15/h11,13,16H,2-10H2,1H3
InChIKeyLKKPEOINPDBBRW-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903420
N-[(6-methyl-3-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904034
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 154745659
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79836256
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-oxaspiro[4.5]decan-4-amine
CID 114244544
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895398
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
CID 79909200
N-[(4-methoxyphenyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79898310
N-[(3-methyl-2-pyridinyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79904113
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
(5S,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124799648

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79895206) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine is Cc1csc(CNC2CCOC3(CCCCC3)C2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is LKKPEOINPDBBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-11-19-14(17-12)10-16-13-5-8-18-15(9-13)6-3-2-4-7-15/h11,13,16H,2-10H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 280.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).