2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine

C15H15F2N5S — CID 82568832

IUPAC2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1-c1n[nH]c(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H15F2N5S/c1-8-14(23-13(19-8)4-5-18)15-20-12(21-22-15)7-9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7,18H2,1H3,(H,20,21,22)
InChIKeyZKDKPFXTSYPARH-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.61
Rot. Bonds5

About 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine

2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 82568832) has the molecular formula C15H15F2N5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID82568832
Molecular FormulaC15H15F2N5S
Molecular Weight335.38 g/mol
Exact Mass335.10
IUPAC Name2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1-c1n[nH]c(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H15F2N5S/c1-8-14(23-13(19-8)4-5-18)15-20-12(21-22-15)7-9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7,18H2,1H3,(H,20,21,22)
InChIKeyZKDKPFXTSYPARH-UHFFFAOYSA-N
XLogP2.61
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[5-[2-(4-chlorophenyl)ethyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82568816
2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 56773382
5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pentan-1-amine
CID 82568568
2-[5-[3-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82569599
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
4-[5-[2-(2-aminoethyl)-4-methyl-1,3-thiazol-5-yl]-1H-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 82569596
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
5-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569314
2-[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054751
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
[4-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenyl]methanamine
CID 82568645
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine (CID 82568832) is 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine is Cc1nc(CCN)sc1-c1n[nH]c(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ZKDKPFXTSYPARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5S/c1-8-14(23-13(19-8)4-5-18)15-20-12(21-22-15)7-9-2-3-10(16)11(17)6-9/h2-3,6H,4-5,7,18H2,1H3,(H,20,21,22).
What are the key properties of 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine?
2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 335.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,4-difluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 82568832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).