N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide

C17H15N5O2S — CID 20766813

IUPACN'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide
SMILESNCc1cccc(NC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C17H15N5O2S/c18-9-11-2-1-3-14(8-11)20-17(24)16(23)19-13-6-4-12(5-7-13)15-10-25-22-21-15/h1-8,10H,9,18H2,(H,19,23)(H,20,24)
InChIKeyDIAZTLNXSBCBEQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.24
Rot. Bonds4

About N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide

N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide (PubChem CID 20766813) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide
PubChem CID20766813
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC NameN'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide
SMILESNCc1cccc(NC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)c1
InChIInChI=1S/C17H15N5O2S/c18-9-11-2-1-3-14(8-11)20-17(24)16(23)19-13-6-4-12(5-7-13)15-10-25-22-21-15/h1-8,10H,9,18H2,(H,19,23)(H,20,24)
InChIKeyDIAZTLNXSBCBEQ-UHFFFAOYSA-N
XLogP2.24
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide?
The IUPAC name of N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide (CID 20766813) is N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide.
What is the SMILES notation for N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide?
The canonical SMILES for N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide is NCc1cccc(NC(=O)C(=O)Nc2ccc(-c3csnn3)cc2)c1.
What is the InChIKey of N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide?
The InChIKey is DIAZTLNXSBCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c18-9-11-2-1-3-14(8-11)20-17(24)16(23)19-13-6-4-12(5-7-13)15-10-25-22-21-15/h1-8,10H,9,18H2,(H,19,23)(H,20,24).
What are the key properties of N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide?
N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide has a molecular weight of 353.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)phenyl]-N-[4-(thiadiazol-4-yl)phenyl]oxamide is sourced from PubChem (CID 20766813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).