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

C25H22N4O3S2 — CID 139303146

IUPAC5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1
InChIKeySELDFFFQCMDDJR-AWEZNQCLSA-N
MW490.61 g/mol
LogP5.42
Rot. Bonds7

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

5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 139303146) has the molecular formula C25H22N4O3S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID139303146
Molecular FormulaC25H22N4O3S2
Molecular Weight490.61 g/mol
Exact Mass490.11
IUPAC Name5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1
InChIKeySELDFFFQCMDDJR-AWEZNQCLSA-N
XLogP5.42
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.42
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'}

Analyze 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide 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 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 139303146) is 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1nc(-c2ncc(-c3ccccc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SELDFFFQCMDDJR-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H22N4O3S2/c1-14(15-7-11-18(12-8-15)22(30)29-32)27-23(31)20-21(17-9-10-17)34-25(28-20)24-26-13-19(33-24)16-5-3-2-4-6-16/h2-8,11-14,17,32H,9-10H2,1H3,(H,27,31)(H,29,30)/t14-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 5.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(5-phenyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 139303146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).