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

C23H33N5O4S — CID 3179503

IUPAC4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)C(CC(C)C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C23H33N5O4S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(15-6-8-16(32-5)9-7-15)23(31)20-18(24)19(21(25)29)27-33-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30)
InChIKeyYUMXRJSHVKOGMX-UHFFFAOYSA-N
MW475.62 g/mol
LogP3.06
Rot. Bonds11

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

4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3179503) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3179503
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC Name4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(N(C(=O)c2snc(C(N)=O)c2N)C(CC(C)C)C(=O)NCCC(C)C)cc1
InChIInChI=1S/C23H33N5O4S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(15-6-8-16(32-5)9-7-15)23(31)20-18(24)19(21(25)29)27-33-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30)
InChIKeyYUMXRJSHVKOGMX-UHFFFAOYSA-N
XLogP3.06
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-amino-5-N-[(1R)-1-(furan-2-yl)-2-(3-methylbutylamino)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40586531
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-[1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-5-N-(2-methylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3173398
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-(4-ethoxyphenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40629344
4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-methoxyphenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40586511
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-[(1R)-2-(2-methoxyethylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40593031
4-amino-5-N-(3,4-dimethoxyphenyl)-5-N-[1-(4-fluorophenyl)-2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177414
4-amino-5-N-[(1S)-2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-5-N-(4-methoxyphenyl)-1,2-thiazole-3,5-dicarboxamide
CID 40664729
4-amino-5-N-[1-(4-fluorophenyl)-2-(3-methylbutylamino)-2-oxoethyl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 4195690

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 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) is 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide is COc1ccc(N(C(=O)c2snc(C(N)=O)c2N)C(CC(C)C)C(=O)NCCC(C)C)cc1.
What is the InChIKey of 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is YUMXRJSHVKOGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-13(2)10-11-26-22(30)17(12-14(3)4)28(15-6-8-16(32-5)9-7-15)23(31)20-18(24)19(21(25)29)27-33-20/h6-9,13-14,17H,10-12,24H2,1-5H3,(H2,25,29)(H,26,30).
What are the key properties of 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 475.62 g/mol, XLogP of 3.06, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-(4-methoxyphenyl)-5-N-[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3179503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).