N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

C19H24N4O2S — CID 126795417

IUPACN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(OCc2nc(CN(C)C(C)c3cnn(C)c3)cs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-14(15-9-20-23(3)10-15)22(2)11-16-13-26-19(21-16)12-25-18-7-5-17(24-4)6-8-18/h5-10,13-14H,11-12H2,1-4H3
InChIKeyKEBGDUJBVUUQLC-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.66
Rot. Bonds8

About N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 126795417) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
PubChem CID126795417
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(OCc2nc(CN(C)C(C)c3cnn(C)c3)cs2)cc1
InChIInChI=1S/C19H24N4O2S/c1-14(15-9-20-23(3)10-15)22(2)11-16-13-26-19(21-16)12-25-18-7-5-17(24-4)6-8-18/h5-10,13-14H,11-12H2,1-4H3
InChIKeyKEBGDUJBVUUQLC-UHFFFAOYSA-N
XLogP3.66
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 126792532
2-[(4-methoxyphenoxy)methyl]-4-(pyrimidin-5-yloxymethyl)-1,3-thiazole
CID 167902967
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165988
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46008327
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 46008653
4-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78817551
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222
N-[(2S)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165866
N-[(2R)-butan-2-yl]-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 93165865
4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 46009805

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine (CID 126795417) is N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is COc1ccc(OCc2nc(CN(C)C(C)c3cnn(C)c3)cs2)cc1.
What is the InChIKey of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is KEBGDUJBVUUQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14(15-9-20-23(3)10-15)22(2)11-16-13-26-19(21-16)12-25-18-7-5-17(24-4)6-8-18/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine?
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 372.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 126795417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).