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

C16H22N2OS — CID 60888079

IUPACN-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)ccc1OCc1cscn1
InChIInChI=1S/C16H22N2OS/c1-4-7-17-13(3)15-8-12(2)5-6-16(15)19-9-14-10-20-11-18-14/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3
InChIKeyWLIULKILVITLMC-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.09
Rot. Bonds7

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

N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 60888079) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID60888079
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)ccc1OCc1cscn1
InChIInChI=1S/C16H22N2OS/c1-4-7-17-13(3)15-8-12(2)5-6-16(15)19-9-14-10-20-11-18-14/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3
InChIKeyWLIULKILVITLMC-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
1-[5-chloro-2-(1,3-thiazol-4-ylmethoxy)phenyl]-N-ethylethanamine
CID 62074239
N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63323303
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
2-methyl-N-[[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326599
N-[1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 62074068
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112640352
N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 78923898
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine (CID 60888079) is N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(C)ccc1OCc1cscn1.
What is the InChIKey of N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is WLIULKILVITLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-7-17-13(3)15-8-12(2)5-6-16(15)19-9-14-10-20-11-18-14/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3.
What are the key properties of N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 60888079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).