N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide

C14H22N4O3S — CID 3219444

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C14H22N4O3S/c1-21-8-7-18(14(20)12-10-22-17-16-12)9-13(19)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyNRJZLSOQSDBOAF-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (PubChem CID 3219444) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
PubChem CID3219444
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1
InChIInChI=1S/C14H22N4O3S/c1-21-8-7-18(14(20)12-10-22-17-16-12)9-13(19)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyNRJZLSOQSDBOAF-UHFFFAOYSA-N
XLogP1.08
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (CID 3219444) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is COCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The InChIKey is NRJZLSOQSDBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-21-8-7-18(14(20)12-10-22-17-16-12)9-13(19)15-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).