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

C12H20N4O3S — CID 3219442

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)13-10(17)7-16(5-6-19-4)11(18)9-8-20-15-14-9/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyCXIPFAIQRNFXJR-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.54
Rot. Bonds6

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

N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (PubChem CID 3219442) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
PubChem CID3219442
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1
InChIInChI=1S/C12H20N4O3S/c1-12(2,3)13-10(17)7-16(5-6-19-4)11(18)9-8-20-15-14-9/h8H,5-7H2,1-4H3,(H,13,17)
InChIKeyCXIPFAIQRNFXJR-UHFFFAOYSA-N
XLogP0.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (CID 3219442) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is COCCN(CC(=O)NC(C)(C)C)C(=O)c1csnn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The InChIKey is CXIPFAIQRNFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-12(2,3)13-10(17)7-16(5-6-19-4)11(18)9-8-20-15-14-9/h8H,5-7H2,1-4H3,(H,13,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3219442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).