(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

C14H22N4OS — CID 124843016

IUPAC(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOCCn1cncc1CN(C)[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C14H22N4OS/c1-11-9-20-14(16-11)12(2)17(3)8-13-7-15-10-18(13)5-6-19-4/h7,9-10,12H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKeyDAFPQZYEHBQBQQ-LBPRGKRZSA-N
MW294.42 g/mol
LogP2.49
Rot. Bonds7

About (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine

(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 124843016) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID124843016
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOCCn1cncc1CN(C)[C@@H](C)c1nc(C)cs1
InChIInChI=1S/C14H22N4OS/c1-11-9-20-14(16-11)12(2)17(3)8-13-7-15-10-18(13)5-6-19-4/h7,9-10,12H,5-6,8H2,1-4H3/t12-/m0/s1
InChIKeyDAFPQZYEHBQBQQ-LBPRGKRZSA-N
XLogP2.49
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 124843016) is (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is COCCn1cncc1CN(C)[C@@H](C)c1nc(C)cs1.
What is the InChIKey of (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is DAFPQZYEHBQBQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11-9-20-14(16-11)12(2)17(3)8-13-7-15-10-18(13)5-6-19-4/h7,9-10,12H,5-6,8H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine?
(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 294.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 124843016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).