N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine

C22H19FN2OS — CID 30649329

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(CNCc3csc(-c4ccc(F)cc4)n3)ccc2c1
InChIInChI=1S/C22H19FN2OS/c1-26-21-9-6-17-10-15(2-3-18(17)11-21)12-24-13-20-14-27-22(25-20)16-4-7-19(23)8-5-16/h2-11,14,24H,12-13H2,1H3
InChIKeyWERKUOXNKFBGKV-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.40
Rot. Bonds6

About N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine (PubChem CID 30649329) has the molecular formula C22H19FN2OS and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
PubChem CID30649329
Molecular FormulaC22H19FN2OS
Molecular Weight378.47 g/mol
Exact Mass378.12
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine
SMILESCOc1ccc2cc(CNCc3csc(-c4ccc(F)cc4)n3)ccc2c1
InChIInChI=1S/C22H19FN2OS/c1-26-21-9-6-17-10-15(2-3-18(17)11-21)12-24-13-20-14-27-22(25-20)16-4-7-19(23)8-5-16/h2-11,14,24H,12-13H2,1H3
InChIKeyWERKUOXNKFBGKV-UHFFFAOYSA-N
XLogP5.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylbutan-1-amine
CID 103460462
1-(6-methoxynaphthalen-2-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 60711272
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 8572766
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 43407890
2-fluoro-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-4-methoxybenzohydrazide
CID 9076340
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
CID 7518434

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine (CID 30649329) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine is COc1ccc2cc(CNCc3csc(-c4ccc(F)cc4)n3)ccc2c1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine?
The InChIKey is WERKUOXNKFBGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2OS/c1-26-21-9-6-17-10-15(2-3-18(17)11-21)12-24-13-20-14-27-22(25-20)16-4-7-19(23)8-5-16/h2-11,14,24H,12-13H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine has a molecular weight of 378.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)methanamine is sourced from PubChem (CID 30649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).