5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine

C18H15FN4OS — CID 89239851

IUPAC5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1sc(N)nc1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C18H15FN4OS/c1-23-9-21-13-7-10(3-5-14(13)23)16-17(25-18(20)22-16)12-8-11(19)4-6-15(12)24-2/h3-9H,1-2H3,(H2,20,22)
InChIKeyKUEMMBDIJGXTMA-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.09
Rot. Bonds3

About 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine

5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 89239851) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
PubChem CID89239851
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1-c1sc(N)nc1-c1ccc2c(c1)ncn2C
InChIInChI=1S/C18H15FN4OS/c1-23-9-21-13-7-10(3-5-14(13)23)16-17(25-18(20)22-16)12-8-11(19)4-6-15(12)24-2/h3-9H,1-2H3,(H2,20,22)
InChIKeyKUEMMBDIJGXTMA-UHFFFAOYSA-N
XLogP4.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine (CID 89239851) is 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine is COc1ccc(F)cc1-c1sc(N)nc1-c1ccc2c(c1)ncn2C.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is KUEMMBDIJGXTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-23-9-21-13-7-10(3-5-14(13)23)16-17(25-18(20)22-16)12-8-11(19)4-6-15(12)24-2/h3-9H,1-2H3,(H2,20,22).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 354.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89239851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).