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

C16H18N6O3S2 — CID 69076804

IUPACN-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(NS(=O)(=O)c3sc(C)nc3C)c2)n(C)n1
InChIInChI=1S/C16H18N6O3S2/c1-9-16(26-11(3)18-9)27(24,25)21-13-5-12(7-17-8-13)14-6-15(19-10(2)23)20-22(14)4/h5-8,21H,1-4H3,(H,19,20,23)
InChIKeyCUQSCKZUYAKCAY-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.31
Rot. Bonds5

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

N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide (PubChem CID 69076804) has the molecular formula C16H18N6O3S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide
PubChem CID69076804
Molecular FormulaC16H18N6O3S2
Molecular Weight406.49 g/mol
Exact Mass406.09
IUPAC NameN-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(NS(=O)(=O)c3sc(C)nc3C)c2)n(C)n1
InChIInChI=1S/C16H18N6O3S2/c1-9-16(26-11(3)18-9)27(24,25)21-13-5-12(7-17-8-13)14-6-15(19-10(2)23)20-22(14)4/h5-8,21H,1-4H3,(H,19,20,23)
InChIKeyCUQSCKZUYAKCAY-UHFFFAOYSA-N
XLogP2.31
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide (CID 69076804) is N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide is CC(=O)Nc1cc(-c2cncc(NS(=O)(=O)c3sc(C)nc3C)c2)n(C)n1.
What is the InChIKey of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide?
The InChIKey is CUQSCKZUYAKCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3S2/c1-9-16(26-11(3)18-9)27(24,25)21-13-5-12(7-17-8-13)14-6-15(19-10(2)23)20-22(14)4/h5-8,21H,1-4H3,(H,19,20,23).
What are the key properties of N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide?
N-[5-[5-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonylamino]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.31, 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]-3-pyridinyl]-1-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 69076804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).