5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C16H20N4O3S2 — CID 71468397

IUPAC5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO
InChIInChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21)
InChIKeyABSSTWUONYNFRT-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.94
Rot. Bonds9

About 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468397) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468397
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO
InChIInChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21)
InChIKeyABSSTWUONYNFRT-UHFFFAOYSA-N
XLogP2.94
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Bisthianostat
CID 71468161
N-[5-(hydroxyamino)-5-oxopentyl]-5-methyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467959
5-ethyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467960
N-[5-(hydroxyamino)-5-oxopentyl]-5-propan-2-yl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467961
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467962
5-butyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71467963
5-ethenyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468055
N-[5-(hydroxyamino)-5-oxopentyl]-5-[(E)-3-methylbut-1-enyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468158
5-cyclohexyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468162
N-[5-(hydroxyamino)-5-oxopentyl]-5-(2-propan-2-ylcyclopropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 71468163
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 91938063
5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
CID 126582839

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468397) is 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCCNC(=O)c1nc(-c2nccs2)sc1C1CC1)NO.
What is the InChIKey of 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ABSSTWUONYNFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c21-11(20-23)4-2-1-3-7-17-14(22)12-13(10-5-6-10)25-16(19-12)15-18-8-9-24-15/h8-10,23H,1-7H2,(H,17,22)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[6-(hydroxyamino)-6-oxohexyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).