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

C15H11ClF2N4O2S — CID 30593577

IUPAC5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2O)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H11ClF2N4O2S/c1-7-11(12-19-4-5-22(12)14(17)18)25-15(20-7)21-13(24)9-6-8(16)2-3-10(9)23/h2-6,14,23H,1H3,(H,20,21,24)
InChIKeyGMEQOYUYKANWBM-UHFFFAOYSA-N
MW384.80 g/mol
LogP4.32
Rot. Bonds4

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

5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide (PubChem CID 30593577) has the molecular formula C15H11ClF2N4O2S and a molecular weight of 384.80 g/mol. Its IUPAC name is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
PubChem CID30593577
Molecular FormulaC15H11ClF2N4O2S
Molecular Weight384.80 g/mol
Exact Mass384.03
IUPAC Name5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide
SMILESCc1nc(NC(=O)c2cc(Cl)ccc2O)sc1-c1nccn1C(F)F
InChIInChI=1S/C15H11ClF2N4O2S/c1-7-11(12-19-4-5-22(12)14(17)18)25-15(20-7)21-13(24)9-6-8(16)2-3-10(9)23/h2-6,14,23H,1H3,(H,20,21,24)
InChIKeyGMEQOYUYKANWBM-UHFFFAOYSA-N
XLogP4.32
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide (CID 30593577) is 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide is Cc1nc(NC(=O)c2cc(Cl)ccc2O)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-hydroxybenzamide?
The InChIKey is GMEQOYUYKANWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N4O2S/c1-7-11(12-19-4-5-22(12)14(17)18)25-15(20-7)21-13(24)9-6-8(16)2-3-10(9)23/h2-6,14,23H,1H3,(H,20,21,24).
What are the key properties of 5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide?
5-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-hydroxybenzamide has a molecular weight of 384.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-hydroxybenzamide is sourced from PubChem (CID 30593577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).