N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide

C20H21FN4O2S2 — CID 3221983

IUPACN-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1csnn1)c1ccccc1F
InChIInChI=1S/C20H21FN4O2S2/c1-4-20(2,3)22-18(26)17(16-10-7-11-28-16)25(15-9-6-5-8-13(15)21)19(27)14-12-29-24-23-14/h5-12,17H,4H2,1-3H3,(H,22,26)
InChIKeyDJKQTYZGZULNFR-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.43
Rot. Bonds7

About N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide

N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide (PubChem CID 3221983) has the molecular formula C20H21FN4O2S2 and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
PubChem CID3221983
Molecular FormulaC20H21FN4O2S2
Molecular Weight432.55 g/mol
Exact Mass432.11
IUPAC NameN-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1csnn1)c1ccccc1F
InChIInChI=1S/C20H21FN4O2S2/c1-4-20(2,3)22-18(26)17(16-10-7-11-28-16)25(15-9-6-5-8-13(15)21)19(27)14-12-29-24-23-14/h5-12,17H,4H2,1-3H3,(H,22,26)
InChIKeyDJKQTYZGZULNFR-UHFFFAOYSA-N
XLogP4.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3221991
N-cyclopropyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
CID 5014191
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
CID 3221993
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-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 3219198
N-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 652112
N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222218
N-[1-(4-fluorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221828
N-(3,5-dimethylphenyl)-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3221934
N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 3221842
N-(4-methoxyphenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 3222021

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide (CID 3221983) is N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide is CCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)c1csnn1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is DJKQTYZGZULNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S2/c1-4-20(2,3)22-18(26)17(16-10-7-11-28-16)25(15-9-6-5-8-13(15)21)19(27)14-12-29-24-23-14/h5-12,17H,4H2,1-3H3,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3221983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).