N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

C16H28N2OS — CID 103748031

IUPACN-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2(CNCC(C)C)CCCOC2)sc1C
InChIInChI=1S/C16H28N2OS/c1-12(2)9-17-10-16(6-5-7-19-11-16)8-15-18-13(3)14(4)20-15/h12,17H,5-11H2,1-4H3
InChIKeyLZIVXAUSANJCNQ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.34
Rot. Bonds6

About N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103748031) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID103748031
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(CC2(CNCC(C)C)CCCOC2)sc1C
InChIInChI=1S/C16H28N2OS/c1-12(2)9-17-10-16(6-5-7-19-11-16)8-15-18-13(3)14(4)20-15/h12,17H,5-11H2,1-4H3
InChIKeyLZIVXAUSANJCNQ-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine (CID 103748031) is N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is Cc1nc(CC2(CNCC(C)C)CCCOC2)sc1C.
What is the InChIKey of N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LZIVXAUSANJCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(2)9-17-10-16(6-5-7-19-11-16)8-15-18-13(3)14(4)20-15/h12,17H,5-11H2,1-4H3.
What are the key properties of N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103748031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).