N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

C26H26FN5OS — CID 67503596

IUPACN-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1ncc(-c2csc(C3(c4ccc(C(=O)Nc5cc(F)ccc5N)cc4)CC3)n2)n1C(C)C
InChIInChI=1S/C26H26FN5OS/c1-15(2)32-16(3)29-13-23(32)22-14-34-25(31-22)26(10-11-26)18-6-4-17(5-7-18)24(33)30-21-12-19(27)8-9-20(21)28/h4-9,12-15H,10-11,28H2,1-3H3,(H,30,33)
InChIKeyOPDGQPJMVHNHDH-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.95
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide

N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (PubChem CID 67503596) has the molecular formula C26H26FN5OS and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
PubChem CID67503596
Molecular FormulaC26H26FN5OS
Molecular Weight475.59 g/mol
Exact Mass475.18
IUPAC NameN-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
SMILESCc1ncc(-c2csc(C3(c4ccc(C(=O)Nc5cc(F)ccc5N)cc4)CC3)n2)n1C(C)C
InChIInChI=1S/C26H26FN5OS/c1-15(2)32-16(3)29-13-23(32)22-14-34-25(31-22)26(10-11-26)18-6-4-17(5-7-18)24(33)30-21-12-19(27)8-9-20(21)28/h4-9,12-15H,10-11,28H2,1-3H3,(H,30,33)
InChIKeyOPDGQPJMVHNHDH-UHFFFAOYSA-N
XLogP5.95
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide (CID 67503596) is N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is Cc1ncc(-c2csc(C3(c4ccc(C(=O)Nc5cc(F)ccc5N)cc4)CC3)n2)n1C(C)C.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
The InChIKey is OPDGQPJMVHNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5OS/c1-15(2)32-16(3)29-13-23(32)22-14-34-25(31-22)26(10-11-26)18-6-4-17(5-7-18)24(33)30-21-12-19(27)8-9-20(21)28/h4-9,12-15H,10-11,28H2,1-3H3,(H,30,33).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide?
N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide has a molecular weight of 475.59 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide is sourced from PubChem (CID 67503596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).