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

C17H30N2OS — CID 114623006

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H30N2OS/c1-7-8-18-14(9-15-19-12(2)11-21-15)13-10-16(3,4)20-17(13,5)6/h11,13-14,18H,7-10H2,1-6H3
InChIKeyZEQSJPAXJLGJQK-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.96
Rot. Bonds6

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

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine (PubChem CID 114623006) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
PubChem CID114623006
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C17H30N2OS/c1-7-8-18-14(9-15-19-12(2)11-21-15)13-10-16(3,4)20-17(13,5)6/h11,13-14,18H,7-10H2,1-6H3
InChIKeyZEQSJPAXJLGJQK-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 105019417
N-[1-(2-ethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63863284
N-[2-pyridin-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 114622871
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
CID 79909200
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
N-[1-(3,4-dimethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64739453
2,2,5,5-tetramethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 79927269
N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)pentan-1-amine
CID 114623279
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine
CID 105189250
N-[(5-methylpyrazin-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105189181
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105019461

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine (CID 114623006) is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is ZEQSJPAXJLGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-7-8-18-14(9-15-19-12(2)11-21-15)13-10-16(3,4)20-17(13,5)6/h11,13-14,18H,7-10H2,1-6H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114623006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).