1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C12H12F2N2S — CID 115523996

IUPAC1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESFC(F)c1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C12H12F2N2S/c13-12(14)10-3-1-9(2-4-10)5-15-6-11-7-17-8-16-11/h1-4,7-8,12,15H,5-6H2
InChIKeyCHZKAUSRFGOUSZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 115523996) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID115523996
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESFC(F)c1ccc(CNCc2cscn2)cc1
InChIInChI=1S/C12H12F2N2S/c13-12(14)10-3-1-9(2-4-10)5-15-6-11-7-17-8-16-11/h1-4,7-8,12,15H,5-6H2
InChIKeyCHZKAUSRFGOUSZ-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
CID 47013530
1-(furan-3-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61223186
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 60697172
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62196983
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 115526517
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221726
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 115523996) is 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is FC(F)c1ccc(CNCc2cscn2)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is CHZKAUSRFGOUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-12(14)10-3-1-9(2-4-10)5-15-6-11-7-17-8-16-11/h1-4,7-8,12,15H,5-6H2.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 254.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 115523996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).