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

C25H21FN4O3S2 — CID 139303149

IUPAC5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ncc(-c3ccc(F)cc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
InChIKeyDIKSIIHTWNLXJQ-ZDUSSCGKSA-N
MW508.60 g/mol
LogP5.56
Rot. Bonds7

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

5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 139303149) has the molecular formula C25H21FN4O3S2 and a molecular weight of 508.60 g/mol. Its IUPAC name is 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID139303149
Molecular FormulaC25H21FN4O3S2
Molecular Weight508.60 g/mol
Exact Mass508.10
IUPAC Name5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1nc(-c2ncc(-c3ccc(F)cc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1
InChIKeyDIKSIIHTWNLXJQ-ZDUSSCGKSA-N
XLogP5.56
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 55.56
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-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-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-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 139303149) is 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1nc(-c2ncc(-c3ccc(F)cc3)s2)sc1C1CC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DIKSIIHTWNLXJQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H21FN4O3S2/c1-13(14-2-6-17(7-3-14)22(31)30-33)28-23(32)20-21(16-4-5-16)35-25(29-20)24-27-12-19(34-24)15-8-10-18(26)11-9-15/h2-3,6-13,16,33H,4-5H2,1H3,(H,28,32)(H,30,31)/t13-/m0/s1.
What are the key properties of 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 508.60 g/mol, XLogP of 5.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 139303149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).