1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C13H15FN2OS — CID 4613320

IUPAC1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ccc(OC)c(F)c2)cs1
InChIInChI=1S/C13H15FN2OS/c1-8(15-2)13-16-11(7-18-13)9-4-5-12(17-3)10(14)6-9/h4-8,15H,1-3H3
InChIKeyOBIBZSJYKUHABQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.24
Rot. Bonds4

About 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 4613320) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID4613320
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(-c2ccc(OC)c(F)c2)cs1
InChIInChI=1S/C13H15FN2OS/c1-8(15-2)13-16-11(7-18-13)9-4-5-12(17-3)10(14)6-9/h4-8,15H,1-3H3
InChIKeyOBIBZSJYKUHABQ-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
1-[4-(4-methoxy-3-nitrophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3661554
1-[2-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 65096351
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3644420
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
CID 103597527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 4613320) is 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(-c2ccc(OC)c(F)c2)cs1.
What is the InChIKey of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is OBIBZSJYKUHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8(15-2)13-16-11(7-18-13)9-4-5-12(17-3)10(14)6-9/h4-8,15H,1-3H3.
What are the key properties of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 4613320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).