N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

C14H18N4OS — CID 65206613

IUPACN-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C(C)C)c1ccccc1N
InChIInChI=1S/C14H18N4OS/c1-4-18(11-8-6-5-7-10(11)15)14(19)13-12(9(2)3)16-17-20-13/h5-9H,4,15H2,1-3H3
InChIKeyJOFYYVDABMXCLM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.91
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide

N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65206613) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65206613
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1snnc1C(C)C)c1ccccc1N
InChIInChI=1S/C14H18N4OS/c1-4-18(11-8-6-5-7-10(11)15)14(19)13-12(9(2)3)16-17-20-13/h5-9H,4,15H2,1-3H3
InChIKeyJOFYYVDABMXCLM-UHFFFAOYSA-N
XLogP2.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65206613) is N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is CCN(C(=O)c1snnc1C(C)C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is JOFYYVDABMXCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-18(11-8-6-5-7-10(11)15)14(19)13-12(9(2)3)16-17-20-13/h5-9H,4,15H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).