N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C17H15FN2O2S — CID 1299822

IUPACN-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1
InChIInChI=1S/C17H15FN2O2S/c1-21-13-7-8-14(16(9-13)22-2)19-17-20-15(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
InChIKeyRQNFTPCBLDEVRC-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.71
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine

N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 1299822) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID1299822
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1
InChIInChI=1S/C17H15FN2O2S/c1-21-13-7-8-14(16(9-13)22-2)19-17-20-15(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20)
InChIKeyRQNFTPCBLDEVRC-UHFFFAOYSA-N
XLogP4.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 1299822) is N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is RQNFTPCBLDEVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-21-13-7-8-14(16(9-13)22-2)19-17-20-15(10-23-17)11-3-5-12(18)6-4-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 330.38 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1299822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).