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

C15H26N2OS — CID 55241652

IUPACN-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)C)cs1)C1CCCOC1
InChIInChI=1S/C15H26N2OS/c1-4-7-16-14(12-6-5-8-18-9-12)15-17-13(10-19-15)11(2)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyKPWUWJFWSJZFEK-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.73
Rot. Bonds6

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

N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 55241652) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID55241652
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C(C)C)cs1)C1CCCOC1
InChIInChI=1S/C15H26N2OS/c1-4-7-16-14(12-6-5-8-18-9-12)15-17-13(10-19-15)11(2)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyKPWUWJFWSJZFEK-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine (CID 55241652) is N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1nc(C(C)C)cs1)C1CCCOC1.
What is the InChIKey of N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is KPWUWJFWSJZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-7-16-14(12-6-5-8-18-9-12)15-17-13(10-19-15)11(2)3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 55241652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).