4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C26H22F2N2O2S — CID 72706492

IUPAC4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O2S/c1-31-22-5-3-2-4-17(22)13-24-25(20-8-7-19(27)14-21(20)28)30-26(33-24)29-15-16-6-9-23-18(12-16)10-11-32-23/h2-9,12,14H,10-11,13,15H2,1H3,(H,29,30)
InChIKeyOINAWOMNTLQHED-UHFFFAOYSA-N
MW464.54 g/mol
LogP6.23
Rot. Bonds7

About 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine

4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 72706492) has the molecular formula C26H22F2N2O2S and a molecular weight of 464.54 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID72706492
Molecular FormulaC26H22F2N2O2S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccc(F)cc1F
InChIInChI=1S/C26H22F2N2O2S/c1-31-22-5-3-2-4-17(22)13-24-25(20-8-7-19(27)14-21(20)28)30-26(33-24)29-15-16-6-9-23-18(12-16)10-11-32-23/h2-9,12,14H,10-11,13,15H2,1H3,(H,29,30)
InChIKeyOINAWOMNTLQHED-UHFFFAOYSA-N
XLogP6.23
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dichlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 72706550
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 87929472
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,5-difluoroaniline
CID 43804025
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 141391302
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-ethoxy-4-fluoroaniline
CID 43804400
N-[[3-(2,3-dihydro-1-benzofuran-5-yl)-4-methoxyphenyl]methyl]-1-phenylethanamine
CID 22391534
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365243
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
5-benzyl-4-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 72707053
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 72706492) is 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OINAWOMNTLQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O2S/c1-31-22-5-3-2-4-17(22)13-24-25(20-8-7-19(27)14-21(20)28)30-26(33-24)29-15-16-6-9-23-18(12-16)10-11-32-23/h2-9,12,14H,10-11,13,15H2,1H3,(H,29,30).
What are the key properties of 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 464.54 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72706492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).