N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 80615140

IUPACN-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)C(C)COC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(6-2)8(3)7-17-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyOUZAZDYFDQUTPM-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.47
Rot. Bonds7

About N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615140) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615140
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(CC)C(C)COC)s1
InChIInChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(6-2)8(3)7-17-4/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyOUZAZDYFDQUTPM-UHFFFAOYSA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80615140) is N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(CC)C(C)COC)s1.
What is the InChIKey of N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OUZAZDYFDQUTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(6-2)8(3)7-17-4/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylamino)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).