N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 81074558

IUPACN-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)CCOCC)s1
InChIInChI=1S/C11H20N4O2S/c1-4-6-12-11-14-13-9(18-11)10(16)15(3)7-8-17-5-2/h4-8H2,1-3H3,(H,12,14)
InChIKeySDAPJYYTQFNDRY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.47
Rot. Bonds8

About N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81074558) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81074558
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(C)CCOCC)s1
InChIInChI=1S/C11H20N4O2S/c1-4-6-12-11-14-13-9(18-11)10(16)15(3)7-8-17-5-2/h4-8H2,1-3H3,(H,12,14)
InChIKeySDAPJYYTQFNDRY-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81073773
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
N,N-bis(2-ethoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 82959675
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
N-[(4-bromophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618727
N-[(4-chlorophenyl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618069
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665
N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
N-methyl-N-(oxan-2-ylmethyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615228

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 81074558) is N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(C)CCOCC)s1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SDAPJYYTQFNDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-6-12-11-14-13-9(18-11)10(16)15(3)7-8-17-5-2/h4-8H2,1-3H3,(H,12,14).
What are the key properties of N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81074558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).