N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H28N2OS — CID 114364205

IUPACN-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2(C)CCCCO2)sc1CNC(C)C
InChIInChI=1S/C16H28N2OS/c1-5-8-13-14(11-17-12(2)3)20-15(18-13)16(4)9-6-7-10-19-16/h12,17H,5-11H2,1-4H3
InChIKeyXYXGFTHJYNZCGK-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.01
Rot. Bonds6

About N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364205) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364205
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2(C)CCCCO2)sc1CNC(C)C
InChIInChI=1S/C16H28N2OS/c1-5-8-13-14(11-17-12(2)3)20-15(18-13)16(4)9-6-7-10-19-16/h12,17H,5-11H2,1-4H3
InChIKeyXYXGFTHJYNZCGK-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364205) is N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(C2(C)CCCCO2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XYXGFTHJYNZCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-8-13-14(11-17-12(2)3)20-15(18-13)16(4)9-6-7-10-19-16/h12,17H,5-11H2,1-4H3.
What are the key properties of N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyloxan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).