N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C19H13F3N4S — CID 166635065

IUPACN-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4ccc(F)cc4F)n3)cc2F)cn1
InChIInChI=1S/C19H13F3N4S/c1-11-8-26(10-23-11)18-5-2-12(6-15(18)22)17-9-27-19(25-17)24-16-4-3-13(20)7-14(16)21/h2-10H,1H3,(H,24,25)
InChIKeyRONTWQAJXXHSFF-UHFFFAOYSA-N
MW386.40 g/mol
LogP5.47
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 166635065) has the molecular formula C19H13F3N4S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID166635065
Molecular FormulaC19H13F3N4S
Molecular Weight386.40 g/mol
Exact Mass386.08
IUPAC NameN-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4ccc(F)cc4F)n3)cc2F)cn1
InChIInChI=1S/C19H13F3N4S/c1-11-8-26(10-23-11)18-5-2-12(6-15(18)22)17-9-27-19(25-17)24-16-4-3-13(20)7-14(16)21/h2-10H,1H3,(H,24,25)
InChIKeyRONTWQAJXXHSFF-UHFFFAOYSA-N
XLogP5.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 166635065) is N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4ccc(F)cc4F)n3)cc2F)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is RONTWQAJXXHSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4S/c1-11-8-26(10-23-11)18-5-2-12(6-15(18)22)17-9-27-19(25-17)24-16-4-3-13(20)7-14(16)21/h2-10H,1H3,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 386.40 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166635065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).