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

C15H15ClN6O3S2 — CID 11676261

IUPACN-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3cn(C)cn3)c2)s1
InChIInChI=1S/C15H15ClN6O3S2/c1-8-13(26-15(19-8)20-9(2)23)10-4-11(14(16)17-5-10)21-27(24,25)12-6-22(3)7-18-12/h4-7,21H,1-3H3,(H,19,20,23)
InChIKeyIEAJLGHSWVPYIH-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.66
Rot. Bonds5

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

N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11676261) has the molecular formula C15H15ClN6O3S2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11676261
Molecular FormulaC15H15ClN6O3S2
Molecular Weight426.91 g/mol
Exact Mass426.03
IUPAC NameN-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3cn(C)cn3)c2)s1
InChIInChI=1S/C15H15ClN6O3S2/c1-8-13(26-15(19-8)20-9(2)23)10-4-11(14(16)17-5-10)21-27(24,25)12-6-22(3)7-18-12/h4-7,21H,1-3H3,(H,19,20,23)
InChIKeyIEAJLGHSWVPYIH-UHFFFAOYSA-N
XLogP2.66
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11676261) is N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3cn(C)cn3)c2)s1.
What is the InChIKey of N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is IEAJLGHSWVPYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O3S2/c1-8-13(26-15(19-8)20-9(2)23)10-4-11(14(16)17-5-10)21-27(24,25)12-6-22(3)7-18-12/h4-7,21H,1-3H3,(H,19,20,23).
What are the key properties of N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 426.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-chloro-5-[(1-methylimidazol-4-yl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11676261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).