5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide

C15H10ClF3N4OS — CID 24626263

IUPAC5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2F)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H10ClF3N4OS/c1-7-11(12-20-4-5-23(12)14(18)19)25-15(21-7)22-13(24)9-6-8(16)2-3-10(9)17/h2-6,14H,1H3,(H,21,22,24)
InChIKeyRZOPTWYSCZNWBA-UHFFFAOYSA-N
MW386.79 g/mol
LogP4.75
Rot. Bonds4

About 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide

5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 24626263) has the molecular formula C15H10ClF3N4OS and a molecular weight of 386.79 g/mol. Its IUPAC name is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID24626263
Molecular FormulaC15H10ClF3N4OS
Molecular Weight386.79 g/mol
Exact Mass386.02
IUPAC Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2F)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H10ClF3N4OS/c1-7-11(12-20-4-5-23(12)14(18)19)25-15(21-7)22-13(24)9-6-8(16)2-3-10(9)17/h2-6,14H,1H3,(H,21,22,24)
InChIKeyRZOPTWYSCZNWBA-UHFFFAOYSA-N
XLogP4.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 24626263) is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide is Cc1nc(NC(=O)c2cc(Cl)ccc2F)sc1-c1nccn1C(F)F.
What is the InChIKey of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is RZOPTWYSCZNWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OS/c1-7-11(12-20-4-5-23(12)14(18)19)25-15(21-7)22-13(24)9-6-8(16)2-3-10(9)17/h2-6,14H,1H3,(H,21,22,24).
What are the key properties of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide?
5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 386.79 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 24626263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).