N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide

C13H14N4OS — CID 65214178

IUPACN-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESNc1ccccc1CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C13H14N4OS/c14-11-4-2-1-3-9(11)7-17(10-5-6-10)13(18)12-8-19-16-15-12/h1-4,8,10H,5-7,14H2
InChIKeyHFYBZCUSQFFGBT-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.93
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide

N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide (PubChem CID 65214178) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
PubChem CID65214178
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
SMILESNc1ccccc1CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C13H14N4OS/c14-11-4-2-1-3-9(11)7-17(10-5-6-10)13(18)12-8-19-16-15-12/h1-4,8,10H,5-7,14H2
InChIKeyHFYBZCUSQFFGBT-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-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
N-[(2-aminophenyl)methyl]-5-bromo-N-cyclopropylthiophene-2-carboxamide
CID 43460891
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
ethyl N-[(2-aminophenyl)methyl]-N-cyclopropylcarbamate
CID 43460945
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2,2-dimethylbutanamide
CID 55102715
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
N-[2-(cyclohexylamino)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467732
N-[(2-aminophenyl)methyl]-N-cyclopropyl-3-methoxypropanamide
CID 55091731
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide (CID 65214178) is N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide is Nc1ccccc1CN(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide?
The InChIKey is HFYBZCUSQFFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c14-11-4-2-1-3-9(11)7-17(10-5-6-10)13(18)12-8-19-16-15-12/h1-4,8,10H,5-7,14H2.
What are the key properties of N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide?
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-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-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide is sourced from PubChem (CID 65214178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).