N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide

C22H26N4O2S — CID 143935338

IUPACN-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide
SMILESCc1ncc(-c2csc(C3(c4ccc(C(=O)NO)cc4)CCCC3)n2)n1C(C)C
InChIInChI=1S/C22H26N4O2S/c1-14(2)26-15(3)23-12-19(26)18-13-29-21(24-18)22(10-4-5-11-22)17-8-6-16(7-9-17)20(27)25-28/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyMMSSCZWGKXKANV-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.88
Rot. Bonds5

About N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide

N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide (PubChem CID 143935338) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide
PubChem CID143935338
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide
SMILESCc1ncc(-c2csc(C3(c4ccc(C(=O)NO)cc4)CCCC3)n2)n1C(C)C
InChIInChI=1S/C22H26N4O2S/c1-14(2)26-15(3)23-12-19(26)18-13-29-21(24-18)22(10-4-5-11-22)17-8-6-16(7-9-17)20(27)25-28/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,25,27)
InChIKeyMMSSCZWGKXKANV-UHFFFAOYSA-N
XLogP4.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide?
The IUPAC name of N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide (CID 143935338) is N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide?
The canonical SMILES for N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide is Cc1ncc(-c2csc(C3(c4ccc(C(=O)NO)cc4)CCCC3)n2)n1C(C)C.
What is the InChIKey of N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide?
The InChIKey is MMSSCZWGKXKANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14(2)26-15(3)23-12-19(26)18-13-29-21(24-18)22(10-4-5-11-22)17-8-6-16(7-9-17)20(27)25-28/h6-9,12-14,28H,4-5,10-11H2,1-3H3,(H,25,27).
What are the key properties of N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide?
N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[1-[4-(2-methyl-3-propan-2-ylimidazol-4-yl)-1,3-thiazol-2-yl]cyclopentyl]benzamide is sourced from PubChem (CID 143935338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).