5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H26N4O3S2 — CID 71468668

IUPAC5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nc3c(s2)CCCCC3)sc1C1CC1)NO
InChIInChI=1S/C20H26N4O3S2/c25-15(24-27)8-4-5-11-21-18(26)16-17(12-9-10-12)29-20(23-16)19-22-13-6-2-1-3-7-14(13)28-19/h12,27H,1-11H2,(H,21,26)(H,24,25)
InChIKeyWJLHBICIMYABNG-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.82
Rot. Bonds8

About 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide

5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71468668) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71468668
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nc3c(s2)CCCCC3)sc1C1CC1)NO
InChIInChI=1S/C20H26N4O3S2/c25-15(24-27)8-4-5-11-21-18(26)16-17(12-9-10-12)29-20(23-16)19-22-13-6-2-1-3-7-14(13)28-19/h12,27H,1-11H2,(H,21,26)(H,24,25)
InChIKeyWJLHBICIMYABNG-UHFFFAOYSA-N
XLogP3.82
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 71468668) is 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1nc(-c2nc3c(s2)CCCCC3)sc1C1CC1)NO.
What is the InChIKey of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WJLHBICIMYABNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c25-15(24-27)8-4-5-11-21-18(26)16-17(12-9-10-12)29-20(23-16)19-22-13-6-2-1-3-7-14(13)28-19/h12,27H,1-11H2,(H,21,26)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide?
5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 3.82, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[5-(hydroxyamino)-5-oxopentyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).