N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

C19H18ClFN2O2S — CID 19644553

IUPACN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESCCOc1cc(CNc2nccs2)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C19H18ClFN2O2S/c1-2-24-17-10-13(11-23-19-22-7-8-26-19)9-15(20)18(17)25-12-14-5-3-4-6-16(14)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyBHBNSNZWXHZDFW-UHFFFAOYSA-N
MW392.88 g/mol
LogP5.53
Rot. Bonds8

About N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine

N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 19644553) has the molecular formula C19H18ClFN2O2S and a molecular weight of 392.88 g/mol. Its IUPAC name is N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID19644553
Molecular FormulaC19H18ClFN2O2S
Molecular Weight392.88 g/mol
Exact Mass392.08
IUPAC NameN-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESCCOc1cc(CNc2nccs2)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C19H18ClFN2O2S/c1-2-24-17-10-13(11-23-19-22-7-8-26-19)9-15(20)18(17)25-12-14-5-3-4-6-16(14)21/h3-10H,2,11-12H2,1H3,(H,22,23)
InChIKeyBHBNSNZWXHZDFW-UHFFFAOYSA-N
XLogP5.53
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine (CID 19644553) is N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is CCOc1cc(CNc2nccs2)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is BHBNSNZWXHZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2S/c1-2-24-17-10-13(11-23-19-22-7-8-26-19)9-15(20)18(17)25-12-14-5-3-4-6-16(14)21/h3-10H,2,11-12H2,1H3,(H,22,23).
What are the key properties of N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine?
N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 392.88 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 19644553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).