N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide

C13H14N4OS — CID 65215762

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
SMILESNc1ccc(CN(C(=O)c2cnns2)C2CC2)cc1
InChIInChI=1S/C13H14N4OS/c14-10-3-1-9(2-4-10)8-17(11-5-6-11)13(18)12-7-15-16-19-12/h1-4,7,11H,5-6,8,14H2
InChIKeyVLZZENGFXKOOKH-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.93
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide

N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide (PubChem CID 65215762) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
PubChem CID65215762
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
SMILESNc1ccc(CN(C(=O)c2cnns2)C2CC2)cc1
InChIInChI=1S/C13H14N4OS/c14-10-3-1-9(2-4-10)8-17(11-5-6-11)13(18)12-7-15-16-19-12/h1-4,7,11H,5-6,8,14H2
InChIKeyVLZZENGFXKOOKH-UHFFFAOYSA-N
XLogP1.93
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215763
N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
CID 65216471
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-methyl-1,3-thiazole-4-carboxamide
CID 65199839
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-ethylbutanamide
CID 43460533
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
2-(5-amino-2-pyridinyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]acetamide;hydrochloride
CID 120621354
N-[(4-aminophenyl)methyl]-N-cyclopropyloctanamide
CID 43460515
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide (CID 65215762) is N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide is Nc1ccc(CN(C(=O)c2cnns2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is VLZZENGFXKOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-10-3-1-9(2-4-10)8-17(11-5-6-11)13(18)12-7-15-16-19-12/h1-4,7,11H,5-6,8,14H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 65215762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).