N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

About N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11647899) has the molecular formula C16H16FN5O3S3 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name	N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID	11647899
Molecular Formula	C16H16FN5O3S3
Molecular Weight	441.54 g/mol
Exact Mass	441.04
IUPAC Name	N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILES	CC(=O)Nc1nc(C)c(-c2cnc(F)c(NS(=O)(=O)c3sc(C)nc3C)c2)s1
InChI	InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23)
InChIKey	IGQXOMRFMBZFBD-UHFFFAOYSA-N
XLogP	3.49
TPSA	113.94 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11647899) is N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(F)c(NS(=O)(=O)c3sc(C)nc3C)c2)s1.

What is the InChIKey of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is IGQXOMRFMBZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S3/c1-7-13(27-16(20-7)21-9(3)23)11-5-12(14(17)18-6-11)22-28(24,25)15-8(2)19-10(4)26-15/h5-6,22H,1-4H3,(H,20,21,23).

What are the key properties of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-6-fluoro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11647899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).