N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide

C11H19N5O2S — CID 77059757

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H19N5O2S/c1-4-5-8-10(19-15-13-8)11(17)16(3)7(2)6-9(12)14-18/h7,18H,4-6H2,1-3H3,(H2,12,14)
InChIKeyYQDDUALIMLIDDS-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.09
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide (PubChem CID 77059757) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
PubChem CID77059757
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)C(C)CC(N)=NO
InChIInChI=1S/C11H19N5O2S/c1-4-5-8-10(19-15-13-8)11(17)16(3)7(2)6-9(12)14-18/h7,18H,4-6H2,1-3H3,(H2,12,14)
InChIKeyYQDDUALIMLIDDS-UHFFFAOYSA-N
XLogP1.09
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
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

2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiadiazole-5-carboxamide
CID 77060452
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-3-chloro-N,4-dimethylthiophene-2-carboxamide
CID 103405004
N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65210107
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-ethyl-N-methylthiadiazole-5-carboxamide
CID 65205074
4-[propan-2-yl-(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 65205936
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,4-dimethylthiophene-3-carboxamide
CID 79808249
N-(1-aminopropan-2-yl)-N,4-dimethylthiadiazole-5-carboxamide
CID 82508904
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 77113489
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 76987520
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide
CID 77072544

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide (CID 77059757) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)C(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is YQDDUALIMLIDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-4-5-8-10(19-15-13-8)11(17)16(3)7(2)6-9(12)14-18/h7,18H,4-6H2,1-3H3,(H2,12,14).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 77059757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).