N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide

C18H23FN4O3S — CID 3222319

IUPACN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1ccccc1F
InChIInChI=1S/C18H23FN4O3S/c1-18(2,3)20-16(24)15(12-7-5-6-8-13(12)19)23(9-10-26-4)17(25)14-11-27-22-21-14/h5-8,11,15H,9-10H2,1-4H3,(H,20,24)
InChIKeyMNJWWRCDLMMLRV-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.42
Rot. Bonds7

About N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (PubChem CID 3222319) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
PubChem CID3222319
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC NameN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
SMILESCOCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1ccccc1F
InChIInChI=1S/C18H23FN4O3S/c1-18(2,3)20-16(24)15(12-7-5-6-8-13(12)19)23(9-10-26-4)17(25)14-11-27-22-21-14/h5-8,11,15H,9-10H2,1-4H3,(H,20,24)
InChIKeyMNJWWRCDLMMLRV-UHFFFAOYSA-N
XLogP2.42
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404512
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 3221993
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 4995080
N-benzyl-N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222172
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 3222221
N-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219337
N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-phenylethyl)thiadiazole-4-carboxamide
CID 7434961
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-[(1S)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7219523
N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7434893
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
CID 3219383
N-[(1R)-2-(tert-butylamino)-2-oxo-1-phenylethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7404533

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide (CID 3222319) is N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is COCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1ccccc1F.
What is the InChIKey of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
The InChIKey is MNJWWRCDLMMLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-18(2,3)20-16(24)15(12-7-5-6-8-13(12)19)23(9-10-26-4)17(25)14-11-27-22-21-14/h5-8,11,15H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3222319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).