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

C18H15FN4OS — CID 86674176

IUPACN-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C18H15FN4OS/c1-23-10-20-13-7-11(3-5-16(13)23)15-9-25-18(22-15)21-14-8-12(19)4-6-17(14)24-2/h3-10H,1-2H3,(H,21,22)
InChIKeyRIWDFWZXVQGYRD-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.59
Rot. Bonds4

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

N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 86674176) has the molecular formula C18H15FN4OS and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
PubChem CID86674176
Molecular FormulaC18H15FN4OS
Molecular Weight354.41 g/mol
Exact Mass354.10
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C18H15FN4OS/c1-23-10-20-13-7-11(3-5-16(13)23)15-9-25-18(22-15)21-14-8-12(19)4-6-17(14)24-2/h3-10H,1-2H3,(H,21,22)
InChIKeyRIWDFWZXVQGYRD-UHFFFAOYSA-N
XLogP4.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine (CID 86674176) is N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine is COc1ccc(F)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is RIWDFWZXVQGYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS/c1-23-10-20-13-7-11(3-5-16(13)23)15-9-25-18(22-15)21-14-8-12(19)4-6-17(14)24-2/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine?
N-(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 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86674176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).