[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

C13H14F2N2S — CID 113328487

IUPAC[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(C(F)F)cc2)sc1C
InChIInChI=1S/C13H14F2N2S/c1-7-8(2)18-13(17-7)11(16)9-3-5-10(6-4-9)12(14)15/h3-6,11-12H,16H2,1-2H3
InChIKeyLSYHIZFHQNLDIS-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.75
Rot. Bonds3

About [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (PubChem CID 113328487) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
PubChem CID113328487
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(C(F)F)cc2)sc1C
InChIInChI=1S/C13H14F2N2S/c1-7-8(2)18-13(17-7)11(16)9-3-5-10(6-4-9)12(14)15/h3-6,11-12H,16H2,1-2H3
InChIKeyLSYHIZFHQNLDIS-UHFFFAOYSA-N
XLogP3.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 81436366
[4-(difluoromethyl)phenyl]-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 113328486
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320
4,5-dimethyl-2-(1-phenylethyl)-1,3-thiazole
CID 83382597
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
3-(4,5-dimethyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 65168755
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-phenylmethanamine
CID 61339245
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 61331531
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
3-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65169091

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (CID 113328487) is [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is Cc1nc(C(N)c2ccc(C(F)F)cc2)sc1C.
What is the InChIKey of [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is LSYHIZFHQNLDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-7-8(2)18-13(17-7)11(16)9-3-5-10(6-4-9)12(14)15/h3-6,11-12H,16H2,1-2H3.
What are the key properties of [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 268.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 113328487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).