N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine

C18H21FN4OS — CID 121417985

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine
SMILESCN(CCOC(c1cncs1)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN4OS/c1-22(12-14-4-3-5-15(19)10-14)8-9-24-18(17-11-20-13-25-17)16-6-7-21-23(16)2/h3-7,10-11,13,18H,8-9,12H2,1-2H3
InChIKeyPCGDGITWRCMLAY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.25
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine

N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine (PubChem CID 121417985) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine
PubChem CID121417985
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine
SMILESCN(CCOC(c1cncs1)c1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C18H21FN4OS/c1-22(12-14-4-3-5-15(19)10-14)8-9-24-18(17-11-20-13-25-17)16-6-7-21-23(16)2/h3-7,10-11,13,18H,8-9,12H2,1-2H3
InChIKeyPCGDGITWRCMLAY-UHFFFAOYSA-N
XLogP3.25
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
CID 121417893
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 121429591
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574524
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 112641477
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
2-[3-[2-[(3-fluorophenyl)methyl-methylamino]ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid
CID 138614893
N-[(4-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 54942400
4-chloro-5-[(3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 33287328
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62574525
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
3-[[(3-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 63639033

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine (CID 121417985) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine is CN(CCOC(c1cncs1)c1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine?
The InChIKey is PCGDGITWRCMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-22(12-14-4-3-5-15(19)10-14)8-9-24-18(17-11-20-13-25-17)16-6-7-21-23(16)2/h3-7,10-11,13,18H,8-9,12H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine has a molecular weight of 360.46 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine is sourced from PubChem (CID 121417985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).