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

C12H20N2OS — CID 115703292

IUPACN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
SMILESCC(C)c1csc(CNC2CCOCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)11-8-16-12(14-11)7-13-10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyXRFSKXKSNSMKCB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.54
Rot. Bonds4

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

N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine (PubChem CID 115703292) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
PubChem CID115703292
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine
SMILESCC(C)c1csc(CNC2CCOCC2)n1
InChIInChI=1S/C12H20N2OS/c1-9(2)11-8-16-12(14-11)7-13-10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3
InChIKeyXRFSKXKSNSMKCB-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine (CID 115703292) is N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine is CC(C)c1csc(CNC2CCOCC2)n1.
What is the InChIKey of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
The InChIKey is XRFSKXKSNSMKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)11-8-16-12(14-11)7-13-10-3-5-15-6-4-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine?
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine has a molecular weight of 240.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 115703292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).