1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine

C12H13FN2S — CID 172536180

IUPAC1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1-c1ncc(C)s1
InChIInChI=1S/C12H13FN2S/c1-8-6-15-12(16-8)11-5-10(13)4-3-9(11)7-14-2/h3-6,14H,7H2,1-2H3
InChIKeyLZZBFMDTFYSUGM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.98
Rot. Bonds3

About 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine

1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine (PubChem CID 172536180) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine
PubChem CID172536180
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1-c1ncc(C)s1
InChIInChI=1S/C12H13FN2S/c1-8-6-15-12(16-8)11-5-10(13)4-3-9(11)7-14-2/h3-6,14H,7H2,1-2H3
InChIKeyLZZBFMDTFYSUGM-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(1,3-Thiazol-2-yl)phenyl)methanamine
CID 21066395
(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
[3-(1,3-Thiazol-2-YL)phenyl]methylamine
CID 18525727
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
2,5-Diphenylthiazole
CID 3014233
(5-Phenyl-1,3-thiazol-2-yl)methanamine
CID 595757
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
5-Methylsulfanyl-4-(5-phenyl-thiazol-2-yl)-thiophene-2-carboxamidine
CID 44334157
(2R)-N-methyl-1-oxo-2-(2-phenyl-1,3-thiazol-5-yl)thiane-2-carbothioamide
CID 45266374
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine (CID 172536180) is 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine is CNCc1ccc(F)cc1-c1ncc(C)s1.
What is the InChIKey of 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine?
The InChIKey is LZZBFMDTFYSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-6-15-12(16-8)11-5-10(13)4-3-9(11)7-14-2/h3-6,14H,7H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine?
1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine has a molecular weight of 236.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(5-methyl-1,3-thiazol-2-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 172536180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).