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

C15H26N2OS — CID 114364662

IUPAC2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-5-7-11-13(10-16-15(2,3)4)19-14(17-11)12-8-6-9-18-12/h12,16H,5-10H2,1-4H3
InChIKeyMKIBLTWNCFWENT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.84
Rot. Bonds5

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

2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364662) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364662
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C15H26N2OS/c1-5-7-11-13(10-16-15(2,3)4)19-14(17-11)12-8-6-9-18-12/h12,16H,5-10H2,1-4H3
InChIKeyMKIBLTWNCFWENT-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364662) is 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(C2CCCO2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is MKIBLTWNCFWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-5-7-11-13(10-16-15(2,3)4)19-14(17-11)12-8-6-9-18-12/h12,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).