4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide

C42H42N6O6S4 — CID 160570888

IUPAC4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
SMILESCc1cnc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)s1.Cc1csc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)n1
InChIInChI=1S/2C21H21N3O3S2/c1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-12(2)10-28-20;1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-10-12(2)28-20/h2*3-4,7-8,10-11,14,27H,5-6,9H2,1-2H3,(H,24,26)/t2*11-/m11/s1
InChIKeyRANNRMFBYARCDT-BSGLVDAKSA-N
MW855.10 g/mol
LogP9.90
Rot. Bonds14

About 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide

4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide (PubChem CID 160570888) has the molecular formula C42H42N6O6S4 and a molecular weight of 855.10 g/mol. Its IUPAC name is 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
PubChem CID160570888
Molecular FormulaC42H42N6O6S4
Molecular Weight855.10 g/mol
Exact Mass854.20
IUPAC Name4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
SMILESCc1cnc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)s1.Cc1csc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)n1
InChIInChI=1S/2C21H21N3O3S2/c1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-12(2)10-28-20;1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-10-12(2)28-20/h2*3-4,7-8,10-11,14,27H,5-6,9H2,1-2H3,(H,24,26)/t2*11-/m11/s1
InChIKeyRANNRMFBYARCDT-BSGLVDAKSA-N
XLogP9.90
TPSA184.36 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.10
LogP ≤ 59.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide with MolForge

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Related Compounds

US9216962, Cfh401
CID 71468672
5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139302889
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139302991
5-cyclopropyl-N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139303049
5-cyclopropyl-N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 139303050
Hdac-IN-H13
CID 139303146
5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 155539837
5-cyclopropyl-N-[2-[4-(hydroxycarbamoyl)phenyl]propan-2-yl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 155549905
4-[(2R)-4-[5-cyclopropyl-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide
CID 157160197
N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-(cyclopropanecarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-4-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 53246187
N-[(1R)-2-oxo-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2R)-4-oxo-2-phenyl-4-thiophen-2-ylbutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]thiophene-2-carboxamide
CID 58294239
N-[(1R)-2-oxo-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-4-oxo-2-phenyl-4-thiophen-2-ylbutanoyl]pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]thiophene-2-carboxamide
CID 58294282

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide (CID 160570888) is 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide is Cc1cnc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)s1.Cc1csc(-c2nc(C(=O)C[C@@H](C)c3ccc(C(=O)NO)cc3)c(C3CC3)s2)n1.
What is the InChIKey of 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
The InChIKey is RANNRMFBYARCDT-BSGLVDAKSA-N. The full InChI is InChI=1S/2C21H21N3O3S2/c1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-12(2)10-28-20;1-11(13-3-7-15(8-4-13)19(26)24-27)9-16(25)17-18(14-5-6-14)29-21(23-17)20-22-10-12(2)28-20/h2*3-4,7-8,10-11,14,27H,5-6,9H2,1-2H3,(H,24,26)/t2*11-/m11/s1.
What are the key properties of 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide?
4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide has a molecular weight of 855.10 g/mol, XLogP of 9.90, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-[5-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide;4-[(2R)-4-[5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-4-oxobutan-2-yl]-N-hydroxybenzamide is sourced from PubChem (CID 160570888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).