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

C18H16N4O3S2 — CID 71468672

IUPAC5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
InChIInChI=1S/C18H16N4O3S2/c23-15(22-25)12-3-1-10(2-4-12)9-20-16(24)13-14(11-5-6-11)27-18(21-13)17-19-7-8-26-17/h1-4,7-8,11,25H,5-6,9H2,(H,20,24)(H,22,23)
InChIKeyHPAOMQPZUJIWDB-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.19
Rot. Bonds6

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

5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468672) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468672
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1
InChIInChI=1S/C18H16N4O3S2/c23-15(22-25)12-3-1-10(2-4-12)9-20-16(24)13-14(11-5-6-11)27-18(21-13)17-19-7-8-26-17/h1-4,7-8,11,25H,5-6,9H2,(H,20,24)(H,22,23)
InChIKeyHPAOMQPZUJIWDB-UHFFFAOYSA-N
XLogP3.19
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.19
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-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468672) is 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(NO)c1ccc(CNC(=O)c2nc(-c3nccs3)sc2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HPAOMQPZUJIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-15(22-25)12-3-1-10(2-4-12)9-20-16(24)13-14(11-5-6-11)27-18(21-13)17-19-7-8-26-17/h1-4,7-8,11,25H,5-6,9H2,(H,20,24)(H,22,23).
What are the key properties of 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).