1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine

C19H18F2N2OS — CID 39985173

IUPAC1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C19H18F2N2OS/c1-23(10-13-6-7-17(20)18(21)8-13)11-15-12-25-19(22-15)14-4-3-5-16(9-14)24-2/h3-9,12H,10-11H2,1-2H3
InChIKeyHCYDZNZMKYMDNS-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine

1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 39985173) has the molecular formula C19H18F2N2OS and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
PubChem CID39985173
Molecular FormulaC19H18F2N2OS
Molecular Weight360.43 g/mol
Exact Mass360.11
IUPAC Name1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
SMILESCOc1cccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C19H18F2N2OS/c1-23(10-13-6-7-17(20)18(21)8-13)11-15-12-25-19(22-15)14-4-3-5-16(9-14)24-2/h3-9,12H,10-11H2,1-2H3
InChIKeyHCYDZNZMKYMDNS-UHFFFAOYSA-N
XLogP4.73
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 51073854
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 18103357
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
CID 110333198
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine (CID 39985173) is 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine is COc1cccc(-c2nc(CN(C)Cc3ccc(F)c(F)c3)cs2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is HCYDZNZMKYMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2OS/c1-23(10-13-6-7-17(20)18(21)8-13)11-15-12-25-19(22-15)14-4-3-5-16(9-14)24-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 360.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 39985173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).