N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H22N4O3S — CID 82959675

IUPACN,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1nnc(NC)s1
InChIInChI=1S/C12H22N4O3S/c1-4-18-8-6-16(7-9-19-5-2)11(17)10-14-15-12(13-3)20-10/h4-9H2,1-3H3,(H,13,15)
InChIKeyBFTZIOVWGNVNCB-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.10
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 82959675) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID82959675
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOCCN(CCOCC)C(=O)c1nnc(NC)s1
InChIInChI=1S/C12H22N4O3S/c1-4-18-8-6-16(7-9-19-5-2)11(17)10-14-15-12(13-3)20-10/h4-9H2,1-3H3,(H,13,15)
InChIKeyBFTZIOVWGNVNCB-UHFFFAOYSA-N
XLogP1.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616833
5-amino-N-(2-ethoxyethyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80616752
N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 81074558
N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80615496
N-butan-2-yl-N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616864
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
N-(2-cyanoethyl)-5-(methylamino)-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615747
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879
N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 63691498
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 82959675) is N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCOCCN(CCOCC)C(=O)c1nnc(NC)s1.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BFTZIOVWGNVNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-4-18-8-6-16(7-9-19-5-2)11(17)10-14-15-12(13-3)20-10/h4-9H2,1-3H3,(H,13,15).
What are the key properties of N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 82959675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).