1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

C14H16F2N2OS2 — CID 75427788

IUPAC1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2cscn2)ccc1SC(F)F
InChIInChI=1S/C14H16F2N2OS2/c1-9(17-6-11-7-20-8-18-11)10-3-4-13(21-14(15)16)12(5-10)19-2/h3-5,7-9,14,17H,6H2,1-2H3
InChIKeyHNPXFACTXZONPP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.32
Rot. Bonds7

About 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 75427788) has the molecular formula C14H16F2N2OS2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID75427788
Molecular FormulaC14H16F2N2OS2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCOc1cc(C(C)NCc2cscn2)ccc1SC(F)F
InChIInChI=1S/C14H16F2N2OS2/c1-9(17-6-11-7-20-8-18-11)10-3-4-13(21-14(15)16)12(5-10)19-2/h3-5,7-9,14,17H,6H2,1-2H3
InChIKeyHNPXFACTXZONPP-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 75427788) is 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is COc1cc(C(C)NCc2cscn2)ccc1SC(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is HNPXFACTXZONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS2/c1-9(17-6-11-7-20-8-18-11)10-3-4-13(21-14(15)16)12(5-10)19-2/h3-5,7-9,14,17H,6H2,1-2H3.
What are the key properties of 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 330.43 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)-3-methoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 75427788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).