4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

C20H26FN5O3S — CID 3178666

IUPAC4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C20H26FN5O3S/c1-5-13(18(28)24-20(2,3)4)26(10-11-6-8-12(21)9-7-11)19(29)16-14(22)15(17(23)27)25-30-16/h6-9,13H,5,10,22H2,1-4H3,(H2,23,27)(H,24,28)
InChIKeyDLEAITXNZKTHMJ-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.30
Rot. Bonds7

About 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3178666) has the molecular formula C20H26FN5O3S and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3178666
Molecular FormulaC20H26FN5O3S
Molecular Weight435.53 g/mol
Exact Mass435.17
IUPAC Name4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCCC(C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N
InChIInChI=1S/C20H26FN5O3S/c1-5-13(18(28)24-20(2,3)4)26(10-11-6-8-12(21)9-7-11)19(29)16-14(22)15(17(23)27)25-30-16/h6-9,13H,5,10,22H2,1-4H3,(H2,23,27)(H,24,28)
InChIKeyDLEAITXNZKTHMJ-UHFFFAOYSA-N
XLogP2.30
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (CID 3178666) is 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)c1snc(C(N)=O)c1N.
What is the InChIKey of 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is DLEAITXNZKTHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O3S/c1-5-13(18(28)24-20(2,3)4)26(10-11-6-8-12(21)9-7-11)19(29)16-14(22)15(17(23)27)25-30-16/h6-9,13H,5,10,22H2,1-4H3,(H2,23,27)(H,24,28).
What are the key properties of 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 435.53 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3178666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).