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

C15H27N3OS — CID 62750953

IUPACN-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(N2CCOC(C)(C)C2)nc1C
InChIInChI=1S/C15H27N3OS/c1-6-7-16-11(2)13-12(3)17-14(20-13)18-8-9-19-15(4,5)10-18/h11,16H,6-10H2,1-5H3
InChIKeyLTSWHEXIIFELPQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.13
Rot. Bonds5

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

N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62750953) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62750953
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(N2CCOC(C)(C)C2)nc1C
InChIInChI=1S/C15H27N3OS/c1-6-7-16-11(2)13-12(3)17-14(20-13)18-8-9-19-15(4,5)10-18/h11,16H,6-10H2,1-5H3
InChIKeyLTSWHEXIIFELPQ-UHFFFAOYSA-N
XLogP3.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62750953) is N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(N2CCOC(C)(C)C2)nc1C.
What is the InChIKey of N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is LTSWHEXIIFELPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-6-7-16-11(2)13-12(3)17-14(20-13)18-8-9-19-15(4,5)10-18/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62750953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).