N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide

C13H14N4OS — CID 65215763

IUPACN-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
SMILESNc1cccc(CN(C(=O)c2cnns2)C2CC2)c1
InChIInChI=1S/C13H14N4OS/c14-10-3-1-2-9(6-10)8-17(11-4-5-11)13(18)12-7-15-16-19-12/h1-3,6-7,11H,4-5,8,14H2
InChIKeyYXIXYJCZTSWGMX-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.93
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide

N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide (PubChem CID 65215763) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
PubChem CID65215763
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
SMILESNc1cccc(CN(C(=O)c2cnns2)C2CC2)c1
InChIInChI=1S/C13H14N4OS/c14-10-3-1-2-9(6-10)8-17(11-4-5-11)13(18)12-7-15-16-19-12/h1-3,6-7,11H,4-5,8,14H2
InChIKeyYXIXYJCZTSWGMX-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215762
N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
N-[(3-aminophenyl)methyl]-N-cyclopropyl-4-ethylthiadiazole-5-carboxamide
CID 65205920
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
CID 65216471
N-[(3-aminophenyl)methyl]-N-(4-methoxycyclohexyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120795
N-[(3-aminophenyl)methyl]-N,2-dicyclopropylpropanamide
CID 83146723
1-[(3-aminophenyl)methyl]-3-cyclohexyl-1-cyclopropylurea
CID 43460769
6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide (CID 65215763) is N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide is Nc1cccc(CN(C(=O)c2cnns2)C2CC2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is YXIXYJCZTSWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-10-3-1-2-9(6-10)8-17(11-4-5-11)13(18)12-7-15-16-19-12/h1-3,6-7,11H,4-5,8,14H2.
What are the key properties of N-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide?
N-[(3-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-[(3-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 65215763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).