N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide

C10H17N5O2S — CID 104873808

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C10H17N5O2S/c1-4-6-7(18-15-13-6)8(16)12-5-10(2,3)9(11)14-17/h17H,4-5H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyXFUBYXVOXNUKIE-UHFFFAOYSA-N
MW271.35 g/mol
LogP0.60
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 104873808) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID104873808
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C10H17N5O2S/c1-4-6-7(18-15-13-6)8(16)12-5-10(2,3)9(11)14-17/h17H,4-5H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyXFUBYXVOXNUKIE-UHFFFAOYSA-N
XLogP0.60
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 50.60
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

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 86807030
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 114383434
N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 114383694
N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide
CID 114383695
N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120410932

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide (CID 104873808) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is XFUBYXVOXNUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-4-6-7(18-15-13-6)8(16)12-5-10(2,3)9(11)14-17/h17H,4-5H2,1-3H3,(H2,11,14)(H,12,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 104873808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).