4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine

C19H18F2N2OS — CID 58955402

IUPAC4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2)Cc2csc(N)n2)cc1
InChIInChI=1S/C19H18F2N2OS/c1-24-16-5-3-13(4-6-16)14(10-15-11-25-19(22)23-15)8-12-2-7-17(20)18(21)9-12/h2-7,9,11,14H,8,10H2,1H3,(H2,22,23)
InChIKeyYRCXIGOHNSTXNO-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.58
Rot. Bonds6

About 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine

4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine (PubChem CID 58955402) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine
PubChem CID58955402
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC Name4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(F)c(F)c2)Cc2csc(N)n2)cc1
InChIInChI=1S/C19H18F2N2OS/c1-24-16-5-3-13(4-6-16)14(10-15-11-25-19(22)23-15)8-12-2-7-17(20)18(21)9-12/h2-7,9,11,14H,8,10H2,1H3,(H2,22,23)
InChIKeyYRCXIGOHNSTXNO-UHFFFAOYSA-N
XLogP4.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine (CID 58955402) is 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine is COc1ccc(C(Cc2ccc(F)c(F)c2)Cc2csc(N)n2)cc1.
What is the InChIKey of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine?
The InChIKey is YRCXIGOHNSTXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c1-24-16-5-3-13(4-6-16)14(10-15-11-25-19(22)23-15)8-12-2-7-17(20)18(21)9-12/h2-7,9,11,14H,8,10H2,1H3,(H2,22,23).
What are the key properties of 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine?
4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine has a molecular weight of 360.43 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-difluorophenyl)-2-(4-methoxyphenyl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).