5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H20N4O3S2 — CID 155549905

IUPAC5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N4O3S2/c1-20(2,13-7-5-12(6-8-13)16(25)24-27)23-17(26)14-15(11-3-4-11)29-19(22-14)18-21-9-10-28-18/h5-11,27H,3-4H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRPQYFZYWAIJJSH-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.93
Rot. Bonds6

About 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 155549905) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID155549905
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H20N4O3S2/c1-20(2,13-7-5-12(6-8-13)16(25)24-27)23-17(26)14-15(11-3-4-11)29-19(22-14)18-21-9-10-28-18/h5-11,27H,3-4H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyRPQYFZYWAIJJSH-UHFFFAOYSA-N
XLogP3.93
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 155549905) is 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is CC(C)(NC(=O)c1nc(-c2nccs2)sc1C1CC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RPQYFZYWAIJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-20(2,13-7-5-12(6-8-13)16(25)24-27)23-17(26)14-15(11-3-4-11)29-19(22-14)18-21-9-10-28-18/h5-11,27H,3-4H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155549905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).