hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium

C16H17N4O5S+ — CID 153438148

IUPAChydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium
SMILESO=C(Nc1ncc([N+](=O)O)s1)c1ccccc1OC(=O)C1CCNCC1
InChIInChI=1S/C16H16N4O5S/c21-14(19-16-18-9-13(26-16)20(23)24)11-3-1-2-4-12(11)25-15(22)10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H-,18,19,21,23,24)/p+1
InChIKeyAHVHJLDSEYTCNH-UHFFFAOYSA-O
MW377.40 g/mol
LogP2.10
Rot. Bonds5

About hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium

hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium (PubChem CID 153438148) has the molecular formula C16H17N4O5S+ and a molecular weight of 377.40 g/mol. Its IUPAC name is hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium
PubChem CID153438148
Molecular FormulaC16H17N4O5S+
Molecular Weight377.40 g/mol
Exact Mass377.09
IUPAC Namehydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium
SMILESO=C(Nc1ncc([N+](=O)O)s1)c1ccccc1OC(=O)C1CCNCC1
InChIInChI=1S/C16H16N4O5S/c21-14(19-16-18-9-13(26-16)20(23)24)11-3-1-2-4-12(11)25-15(22)10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H-,18,19,21,23,24)/p+1
InChIKeyAHVHJLDSEYTCNH-UHFFFAOYSA-O
XLogP2.10
TPSA120.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium?
The IUPAC name of hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium (CID 153438148) is hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium.
What is the SMILES notation for hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium?
The canonical SMILES for hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium is O=C(Nc1ncc([N+](=O)O)s1)c1ccccc1OC(=O)C1CCNCC1.
What is the InChIKey of hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium?
The InChIKey is AHVHJLDSEYTCNH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N4O5S/c21-14(19-16-18-9-13(26-16)20(23)24)11-3-1-2-4-12(11)25-15(22)10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H-,18,19,21,23,24)/p+1.
What are the key properties of hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium?
hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium has a molecular weight of 377.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-[[2-(piperidine-4-carbonyloxy)benzoyl]amino]-1,3-thiazol-5-yl]azanium is sourced from PubChem (CID 153438148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).