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

C18H22N4O3S2 — CID 71468671

IUPAC5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nc(C3CC3)cs2)sc1C1CC1)NO
InChIInChI=1S/C18H22N4O3S2/c23-13(22-25)3-1-2-8-19-16(24)14-15(11-6-7-11)27-18(21-14)17-20-12(9-26-17)10-4-5-10/h9-11,25H,1-8H2,(H,19,24)(H,22,23)
InChIKeyKSDSCUWMZQIYCC-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.43
Rot. Bonds9

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

5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide (PubChem CID 71468671) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
PubChem CID71468671
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC Name5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CCCCNC(=O)c1nc(-c2nc(C3CC3)cs2)sc1C1CC1)NO
InChIInChI=1S/C18H22N4O3S2/c23-13(22-25)3-1-2-8-19-16(24)14-15(11-6-7-11)27-18(21-14)17-20-12(9-26-17)10-4-5-10/h9-11,25H,1-8H2,(H,19,24)(H,22,23)
InChIKeyKSDSCUWMZQIYCC-UHFFFAOYSA-N
XLogP3.43
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.43
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-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide (CID 71468671) is 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide is O=C(CCCCNC(=O)c1nc(-c2nc(C3CC3)cs2)sc1C1CC1)NO.
What is the InChIKey of 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KSDSCUWMZQIYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c23-13(22-25)3-1-2-8-19-16(24)14-15(11-6-7-11)27-18(21-14)17-20-12(9-26-17)10-4-5-10/h9-11,25H,1-8H2,(H,19,24)(H,22,23).
What are the key properties of 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide?
5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-[5-(hydroxyamino)-5-oxopentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71468671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).