5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide

C11H20N4O2S — CID 81073773

IUPAC5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)CCOC(C)C)s1
InChIInChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(4)6-7-17-8(2)3/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyOEKPKFKIDZZPAP-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.47
Rot. Bonds7

About 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 81073773) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID81073773
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)N(C)CCOC(C)C)s1
InChIInChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(4)6-7-17-8(2)3/h8H,5-7H2,1-4H3,(H,12,14)
InChIKeyOEKPKFKIDZZPAP-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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Related Compounds

5-chloro-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81058718
N-(2-ethoxyethyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 81074558
5-(ethylamino)-N-propan-2-yl-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80616161
N,N-diethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615426
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 103191126
5-(ethylamino)-N-(2-methoxyethyl)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80617445
N-(2-ethoxyethyl)-N-ethyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616833
N-cyclopropyl-5-(ethylamino)-N-(3-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616794
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
5-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 114953077
N-[(4-bromophenyl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616317

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide (CID 81073773) is 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)N(C)CCOC(C)C)s1.
What is the InChIKey of 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OEKPKFKIDZZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-5-12-11-14-13-9(18-11)10(16)15(4)6-7-17-8(2)3/h8H,5-7H2,1-4H3,(H,12,14).
What are the key properties of 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-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 5-(ethylamino)-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 81073773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).