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

C20H18N4O3S2 — CID 155539837

IUPAC5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NO)c1ccc(C2(NC(=O)c3nc(-c4nccs4)sc3C3CC3)CC2)cc1
InChIInChI=1S/C20H18N4O3S2/c25-16(24-27)12-3-5-13(6-4-12)20(7-8-20)23-17(26)14-15(11-1-2-11)29-19(22-14)18-21-9-10-28-18/h3-6,9-11,27H,1-2,7-8H2,(H,23,26)(H,24,25)
InChIKeyWVCZRDIDYOCLED-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.68
Rot. Bonds6

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

5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 155539837) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID155539837
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NO)c1ccc(C2(NC(=O)c3nc(-c4nccs4)sc3C3CC3)CC2)cc1
InChIInChI=1S/C20H18N4O3S2/c25-16(24-27)12-3-5-13(6-4-12)20(7-8-20)23-17(26)14-15(11-1-2-11)29-19(22-14)18-21-9-10-28-18/h3-6,9-11,27H,1-2,7-8H2,(H,23,26)(H,24,25)
InChIKeyWVCZRDIDYOCLED-UHFFFAOYSA-N
XLogP3.68
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.68
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-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 155539837) is 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(NO)c1ccc(C2(NC(=O)c3nc(-c4nccs4)sc3C3CC3)CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WVCZRDIDYOCLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c25-16(24-27)12-3-5-13(6-4-12)20(7-8-20)23-17(26)14-15(11-1-2-11)29-19(22-14)18-21-9-10-28-18/h3-6,9-11,27H,1-2,7-8H2,(H,23,26)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155539837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).