N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide

C21H22FN5O2S — CID 3222221

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1
InChIInChI=1S/C21H22FN5O2S/c1-21(2,3)24-19(28)18(14-8-6-10-23-11-14)27(20(29)17-13-30-26-25-17)12-15-7-4-5-9-16(15)22/h4-11,13,18H,12H2,1-3H3,(H,24,28)
InChIKeyLKNNJUQALOPQNF-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 3222221) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
PubChem CID3222221
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1
InChIInChI=1S/C21H22FN5O2S/c1-21(2,3)24-19(28)18(14-8-6-10-23-11-14)27(20(29)17-13-30-26-25-17)12-15-7-4-5-9-16(15)22/h4-11,13,18H,12H2,1-3H3,(H,24,28)
InChIKeyLKNNJUQALOPQNF-UHFFFAOYSA-N
XLogP3.37
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(tert-butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide
CID 4995080
N-benzyl-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 3222198
N-[(4-fluorophenyl)methyl]-N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide
CID 3222240
N-benzyl-N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222172
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-phenylethyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 3222562
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-ethylphenyl)thiadiazole-4-carboxamide
CID 3222599
N-[(2-fluorophenyl)methyl]-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222218
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-chlorophenyl)thiadiazole-4-carboxamide
CID 3222102
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
CID 3219383
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 3222319
N-[(1R)-2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-methoxyethyl)thiadiazole-4-carboxamide
CID 7404512
N-[2-(tert-butylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-phenylthiadiazole-4-carboxamide
CID 3219164

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide (CID 3222221) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(Cc1ccccc1F)C(=O)c1csnn1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is LKNNJUQALOPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-21(2,3)24-19(28)18(14-8-6-10-23-11-14)27(20(29)17-13-30-26-25-17)12-15-7-4-5-9-16(15)22/h4-11,13,18H,12H2,1-3H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.37, 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-oxo-1-pyridin-3-ylethyl]-N-[(2-fluorophenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 3222221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).