4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

C23H33N5O3S — CID 25311765

IUPAC4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC(C)C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C23H33N5O3S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(16-8-6-15(5)7-9-16)23(31)20-18(24)19(21(25)29)27-32-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30)/t17-/m1/s1
InChIKeyLKDUJNXXCJORCX-QGZVFWFLSA-N
MW459.62 g/mol
LogP3.36
Rot. Bonds10

About 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25311765) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID25311765
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC(C)C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C23H33N5O3S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(16-8-6-15(5)7-9-16)23(31)20-18(24)19(21(25)29)27-32-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30)/t17-/m1/s1
InChIKeyLKDUJNXXCJORCX-QGZVFWFLSA-N
XLogP3.36
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-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

Related Compounds

4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 3179503
4-amino-5-N-(2,3-dimethylphenyl)-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 25311784
4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 3179456
4-amino-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3179520
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1S)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25311891
4-amino-5-N-[1-(tert-butylamino)-4-methyl-1-oxopentan-2-yl]-5-N-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3178817
4-amino-5-N-(3-fluorophenyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179529
4-amino-5-N-(2-fluorophenyl)-5-N-[(1S)-2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 25311914
4-amino-5-N-benzyl-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179512
4-amino-5-N-(3,4-dimethylphenyl)-5-N-[1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177605
4-amino-5-N-(2-methoxyphenyl)-5-N-[2-(3-methylbutylamino)-1-(4-methylphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179533
4-amino-5-N-[1-(cyclopentylamino)-1-oxohexan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3180047

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 25311765) is 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is Cc1ccc(N(C(=O)c2snc(C(N)=O)c2N)[C@H](CC(C)C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is LKDUJNXXCJORCX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(16-8-6-15(5)7-9-16)23(31)20-18(24)19(21(25)29)27-32-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30)/t17-/m1/s1.
What are the key properties of 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 459.62 g/mol, XLogP of 3.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[(2R)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25311765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).