N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide

C10H17N5O2S — CID 77060547

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)c1csnn1
InChIInChI=1S/C10H17N5O2S/c1-7(2)5-15(4-3-9(11)13-17)10(16)8-6-18-14-12-8/h6-7,17H,3-5H2,1-2H3,(H2,11,13)
InChIKeyYCRWJNLGOMXTLR-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.77
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide (PubChem CID 77060547) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
PubChem CID77060547
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)c1csnn1
InChIInChI=1S/C10H17N5O2S/c1-7(2)5-15(4-3-9(11)13-17)10(16)8-6-18-14-12-8/h6-7,17H,3-5H2,1-2H3,(H2,11,13)
InChIKeyYCRWJNLGOMXTLR-UHFFFAOYSA-N
XLogP0.77
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.77
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

N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 77059352
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 55049875
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)pyridazine-4-carboxamide
CID 104671971
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
CID 115299504
N-(3-amino-3-hydroxyiminopropyl)-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 76917312
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-N-(2-methylpropyl)furan-3-carboxamide
CID 106689295
N-(3-amino-3-sulfanylidenepropyl)-N-ethylthiadiazole-4-carboxamide
CID 65216427
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-3-hydroxyiminopropyl)-3-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 76917214
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide (CID 77060547) is N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide is CC(C)CN(CCC(N)=NO)C(=O)c1csnn1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide?
The InChIKey is YCRWJNLGOMXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-7(2)5-15(4-3-9(11)13-17)10(16)8-6-18-14-12-8/h6-7,17H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 77060547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).