1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine

C12H13FN2S — CID 79823518

IUPAC1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C12H13FN2S/c1-14-8-10-6-9(2-3-11(10)13)7-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3
InChIKeyNYTAYFZVYAJZNT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.59
Rot. Bonds4

About 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine

1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 79823518) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID79823518
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cc2nccs2)ccc1F
InChIInChI=1S/C12H13FN2S/c1-14-8-10-6-9(2-3-11(10)13)7-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3
InChIKeyNYTAYFZVYAJZNT-UHFFFAOYSA-N
XLogP2.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-1-amine
CID 79824734
[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824515
N-[[4-fluoro-3-(1,3-thiazol-2-ylmethyl)phenyl]methyl]ethanamine
CID 79824851
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
N-methyl-1-[3-(1,3-thiazol-2-ylmethyl)phenyl]methanamine
CID 79824844
N-[[2-chloro-5-(1,3-thiazol-2-ylmethyl)phenyl]methyl]propan-2-amine
CID 114076795
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003
1-(3,4-difluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine;hydrochloride
CID 155977994
N-[[3-methyl-4-(1,3-thiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825179
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 57476546

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine (CID 79823518) is 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine is CNCc1cc(Cc2nccs2)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is NYTAYFZVYAJZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-14-8-10-6-9(2-3-11(10)13)7-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3.
What are the key properties of 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 236.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 79823518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).