5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C13H16N4O2S — CID 80614957

IUPAC5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C13H16N4O2S/c1-2-14-13-17-16-12(20-13)11(19)15-8-7-9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,14,17)(H,15,19)
InChIKeyOSKOSHCZFMPNFK-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.65
Rot. Bonds6

About 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80614957) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80614957
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NCCc2ccc(O)cc2)s1
InChIInChI=1S/C13H16N4O2S/c1-2-14-13-17-16-12(20-13)11(19)15-8-7-9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,14,17)(H,15,19)
InChIKeyOSKOSHCZFMPNFK-UHFFFAOYSA-N
XLogP1.65
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-N-(5,5,5-trifluoropentyl)-1,3,4-thiadiazole-2-carboxamide
CID 115522177
5-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616080
5-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617199
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
N-(2-butoxyethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617528
N-(2-cyclopentylethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616090
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106050447
2-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 62180979
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114167724
N-[2-(tert-butylamino)-2-oxoethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357196
5-(ethylamino)-N-(2-methylbutyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617547

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80614957) is 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NCCc2ccc(O)cc2)s1.
What is the InChIKey of 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OSKOSHCZFMPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-14-13-17-16-12(20-13)11(19)15-8-7-9-3-5-10(18)6-4-9/h3-6,18H,2,7-8H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80614957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).