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

C16H28N2OS — CID 114364679

IUPAC2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2(C)CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C16H28N2OS/c1-6-8-12-13(11-17-15(2,3)4)20-14(18-12)16(5)9-7-10-19-16/h17H,6-11H2,1-5H3
InChIKeyAMRAPOKUCVOLIJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.01
Rot. Bonds5

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

2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364679) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364679
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C2(C)CCCO2)sc1CNC(C)(C)C
InChIInChI=1S/C16H28N2OS/c1-6-8-12-13(11-17-15(2,3)4)20-14(18-12)16(5)9-7-10-19-16/h17H,6-11H2,1-5H3
InChIKeyAMRAPOKUCVOLIJ-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364679) is 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(C2(C)CCCO2)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is AMRAPOKUCVOLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-6-8-12-13(11-17-15(2,3)4)20-14(18-12)16(5)9-7-10-19-16/h17H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[[2-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methyloxolan-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, 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-(2-methyloxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).