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

C21H20F2N4O2S — CID 3221993

IUPACN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F
InChIInChI=1S/C21H20F2N4O2S/c1-21(2,3)24-19(28)18(13-8-4-5-9-14(13)22)27(17-11-7-6-10-15(17)23)20(29)16-12-30-26-25-16/h4-12,18H,1-3H3,(H,24,28)
InChIKeyIVLPLTZXQLCQNC-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.12
Rot. Bonds5

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

N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 3221993) has the molecular formula C21H20F2N4O2S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID3221993
Molecular FormulaC21H20F2N4O2S
Molecular Weight430.48 g/mol
Exact Mass430.13
IUPAC NameN-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F
InChIInChI=1S/C21H20F2N4O2S/c1-21(2,3)24-19(28)18(13-8-4-5-9-14(13)22)27(17-11-7-6-10-15(17)23)20(29)16-12-30-26-25-16/h4-12,18H,1-3H3,(H,24,28)
InChIKeyIVLPLTZXQLCQNC-UHFFFAOYSA-N
XLogP4.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7434893
N-[(1S)-2-(tert-butylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 7219523
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 3222319
N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3221991
N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 3221983
N-[(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 25410118
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-naphthalen-1-ylthiadiazole-4-carboxamide
CID 3222070
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3798285
N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 4995080
N-[(1R)-2-(tert-butylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7404334
N-[(1R)-2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 7434827

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide (CID 3221993) is N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1ccccc1F)N(C(=O)c1csnn1)c1ccccc1F.
What is the InChIKey of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is IVLPLTZXQLCQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2S/c1-21(2,3)24-19(28)18(13-8-4-5-9-14(13)22)27(17-11-7-6-10-15(17)23)20(29)16-12-30-26-25-16/h4-12,18H,1-3H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3221993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).