1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

C12H13FN2S — CID 62135503

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)c1ccc(F)cc1C
InChIInChI=1S/C12H13FN2S/c1-8-7-9(13)3-4-10(8)11(14-2)12-15-5-6-16-12/h3-7,11,14H,1-2H3
InChIKeyMDHLJOJKDCBQHI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.90
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 62135503) has the molecular formula C12H13FN2S and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
PubChem CID62135503
Molecular FormulaC12H13FN2S
Molecular Weight236.31 g/mol
Exact Mass236.08
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)c1ccc(F)cc1C
InChIInChI=1S/C12H13FN2S/c1-8-7-9(13)3-4-10(8)11(14-2)12-15-5-6-16-12/h3-7,11,14H,1-2H3
InChIKeyMDHLJOJKDCBQHI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61336170
N-methyl-1-(3-methylthiophen-2-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61346189
N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335969
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105142882
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(2,4-difluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 43484068
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 66157853
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 63553819

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine (CID 62135503) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is CNC(c1nccs1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is MDHLJOJKDCBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-8-7-9(13)3-4-10(8)11(14-2)12-15-5-6-16-12/h3-7,11,14H,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine has a molecular weight of 236.31 g/mol, XLogP of 2.90, 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-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 62135503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).