1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H13FN2S — CID 60721482

IUPAC1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCc1cc(CNCc2cscn2)ccc1F
InChIInChI=1S/C12H13FN2S/c1-9-4-10(2-3-12(9)13)5-14-6-11-7-16-8-15-11/h2-4,7-8,14H,5-6H2,1H3
InChIKeyKQRTYHMOIHDJFU-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.88
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 60721482) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID60721482
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCc1cc(CNCc2cscn2)ccc1F
InChIInChI=1S/C12H13FN2S/c1-9-4-10(2-3-12(9)13)5-14-6-11-7-16-8-15-11/h2-4,7-8,14H,5-6H2,1H3
InChIKeyKQRTYHMOIHDJFU-UHFFFAOYSA-N
XLogP2.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2-methyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]aniline
CID 63824138
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113243591
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 81145010
N-[(4-bromo-3-methylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 66473626
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
N-[(3-chloro-4-fluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 62538091
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 60697172
1-(4-fluoro-3-methylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884423
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63069776

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 60721482) is 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine is Cc1cc(CNCc2cscn2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is KQRTYHMOIHDJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-9-4-10(2-3-12(9)13)5-14-6-11-7-16-8-15-11/h2-4,7-8,14H,5-6H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 236.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 60721482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).