N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide

C8H13N5O2S — CID 77060505

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
SMILESCCCC(NC(=O)c1cnns1)C(N)=NO
InChIInChI=1S/C8H13N5O2S/c1-2-3-5(7(9)12-15)11-8(14)6-4-10-13-16-6/h4-5,15H,2-3H2,1H3,(H2,9,12)(H,11,14)
InChIKeyLUVISHZOQCOZHK-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.18
Rot. Bonds5

About N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide

N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide (PubChem CID 77060505) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
PubChem CID77060505
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide
SMILESCCCC(NC(=O)c1cnns1)C(N)=NO
InChIInChI=1S/C8H13N5O2S/c1-2-3-5(7(9)12-15)11-8(14)6-4-10-13-16-6/h4-5,15H,2-3H2,1H3,(H2,9,12)(H,11,14)
InChIKeyLUVISHZOQCOZHK-UHFFFAOYSA-N
XLogP0.18
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 76930016
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-(1-amino-1-hydroxyiminopentan-2-yl)-2,3,4-trifluorobenzamide
CID 79754946
N-(1-amino-1-hydroxyiminopentan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261150
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
CID 43522681
methyl 2-(thiadiazole-5-carbonylamino)propanoate
CID 61037921
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide (CID 77060505) is N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide is CCCC(NC(=O)c1cnns1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is LUVISHZOQCOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c1-2-3-5(7(9)12-15)11-8(14)6-4-10-13-16-6/h4-5,15H,2-3H2,1H3,(H2,9,12)(H,11,14).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 77060505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).