N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide

C10H18N4OS — CID 65204345

IUPACN-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCNCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-4-11-5-6-12-10(15)9-8(7(2)3)13-14-16-9/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyJLVBSCKCXGICMJ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.00
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204345) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204345
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCNCCNC(=O)c1snnc1C(C)C
InChIInChI=1S/C10H18N4OS/c1-4-11-5-6-12-10(15)9-8(7(2)3)13-14-16-9/h7,11H,4-6H2,1-3H3,(H,12,15)
InChIKeyJLVBSCKCXGICMJ-UHFFFAOYSA-N
XLogP1.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204345) is N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide is CCNCCNC(=O)c1snnc1C(C)C.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is JLVBSCKCXGICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-11-5-6-12-10(15)9-8(7(2)3)13-14-16-9/h7,11H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).