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

C17H16ClN5O3S2 — CID 121445751

IUPAC2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H16ClN5O3S2/c1-10-15(27-17(21-10)22-14(24)8-19)11-7-13(16(18)20-9-11)23-28(25,26)12-5-3-2-4-6-12/h2-7,9,23H,8,19H2,1H3,(H,21,22,24)
InChIKeyTXHSRGJSQAXDGN-UHFFFAOYSA-N
MW437.93 g/mol
LogP2.86
Rot. Bonds6

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

2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 121445751) has the molecular formula C17H16ClN5O3S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID121445751
Molecular FormulaC17H16ClN5O3S2
Molecular Weight437.93 g/mol
Exact Mass437.04
IUPAC Name2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H16ClN5O3S2/c1-10-15(27-17(21-10)22-14(24)8-19)11-7-13(16(18)20-9-11)23-28(25,26)12-5-3-2-4-6-12/h2-7,9,23H,8,19H2,1H3,(H,21,22,24)
InChIKeyTXHSRGJSQAXDGN-UHFFFAOYSA-N
XLogP2.86
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-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 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 121445751) is 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CN)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is TXHSRGJSQAXDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3S2/c1-10-15(27-17(21-10)22-14(24)8-19)11-7-13(16(18)20-9-11)23-28(25,26)12-5-3-2-4-6-12/h2-7,9,23H,8,19H2,1H3,(H,21,22,24).
What are the key properties of 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 437.93 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 121445751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).