6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide

C15H11F2N5O3S2 — CID 11742342

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N5O3S2/c16-8-2-1-3-9(17)11(8)12(23)13-14(18)22-15(26-13)21-10-5-4-7(6-20-10)27(19,24)25/h1-6H,18H2,(H2,19,24,25)(H,20,21,22)
InChIKeyJCIYTQGHZNESNX-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.02
Rot. Bonds5

About 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide (PubChem CID 11742342) has the molecular formula C15H11F2N5O3S2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide
PubChem CID11742342
Molecular FormulaC15H11F2N5O3S2
Molecular Weight411.42 g/mol
Exact Mass411.03
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C15H11F2N5O3S2/c16-8-2-1-3-9(17)11(8)12(23)13-14(18)22-15(26-13)21-10-5-4-7(6-20-10)27(19,24)25/h1-6H,18H2,(H2,19,24,25)(H,20,21,22)
InChIKeyJCIYTQGHZNESNX-UHFFFAOYSA-N
XLogP2.02
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide (CID 11742342) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cn2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide?
The InChIKey is JCIYTQGHZNESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5O3S2/c16-8-2-1-3-9(17)11(8)12(23)13-14(18)22-15(26-13)21-10-5-4-7(6-20-10)27(19,24)25/h1-6H,18H2,(H2,19,24,25)(H,20,21,22).
What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide has a molecular weight of 411.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 11742342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).