N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

C9H16N4OS — CID 80615426

IUPACN,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)CC)s1
InChIInChI=1S/C9H16N4OS/c1-4-10-9-12-11-7(15-9)8(14)13(5-2)6-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyAVKJWLSGDZQPEW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.45
Rot. Bonds5

About N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide

N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615426) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615426
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)CC)s1
InChIInChI=1S/C9H16N4OS/c1-4-10-9-12-11-7(15-9)8(14)13(5-2)6-3/h4-6H2,1-3H3,(H,10,12)
InChIKeyAVKJWLSGDZQPEW-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615426) is N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CC)CC)s1.
What is the InChIKey of N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AVKJWLSGDZQPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-10-9-12-11-7(15-9)8(14)13(5-2)6-3/h4-6H2,1-3H3,(H,10,12).
What are the key properties of N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).