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

C24H35N5O3S — CID 3179463

IUPAC4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCCC(C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H35N5O3S/c1-6-7-18(23(31)27-13-12-14(2)3)29(17-10-8-16(9-11-17)15(4)5)24(32)21-19(25)20(22(26)30)28-33-21/h8-11,14-15,18H,6-7,12-13,25H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeySXHQHSNARUWBJS-UHFFFAOYSA-N
MW473.64 g/mol
LogP3.93
Rot. Bonds11

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

4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3179463) has the molecular formula C24H35N5O3S and a molecular weight of 473.64 g/mol. Its IUPAC name is 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID3179463
Molecular FormulaC24H35N5O3S
Molecular Weight473.64 g/mol
Exact Mass473.25
IUPAC Name4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCCCC(C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H35N5O3S/c1-6-7-18(23(31)27-13-12-14(2)3)29(17-10-8-16(9-11-17)15(4)5)24(32)21-19(25)20(22(26)30)28-33-21/h8-11,14-15,18H,6-7,12-13,25H2,1-5H3,(H2,26,30)(H,27,31)
InChIKeySXHQHSNARUWBJS-UHFFFAOYSA-N
XLogP3.93
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(1-cyclohexylcarbamoyl-ethyl)-o-tolyl-amide]
CID 3174304
4-Amino-N5-(3-methylphenyl)-N5-{1-[(oxolan-2-ylmethyl)carbamoyl]ethyl}-1,2-thiazole-3,5-dicarboxamide
CID 3174528
4-Amino-N5-[(benzylcarbamoyl)methyl]-N5-(4-fluorophenyl)-1,2-thiazole-3,5-dicarboxamide
CID 3177294
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(1-tert-butylcarbamoyl-propyl)-(4-fluoro-benzyl)-amide]
CID 3178666
4-Amino-N5-[1-(tert-butylcarbamoyl)butyl]-N5-[(4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3178741
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[cyclopentylcarbamoylmethyl-(3-trifluoromethyl-phenyl)-amide]
CID 3179757
4-Amino-N5-[(2-chlorophenyl)methyl]-N5-[1-(cyclopentylcarbamoyl)propyl]-1,2-thiazole-3,5-dicarboxamide
CID 3179904
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(1-cyclopentylcarbamoyl-3-methyl-butyl)-p-tolyl-amide]
CID 3180077
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(cyclopentylcarbamoyl-pyridin-4-yl-methyl)-p-tolyl-amide]
CID 3180482
4-Amino-N5-benzyl-N5-[1-(cyclohexylcarbamoyl)-3-methylbutyl]-1,2-thiazole-3,5-dicarboxamide
CID 3180593
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-[(cyclohexylcarbamoyl-p-tolyl-methyl)-(3-morpholin-4-yl-propyl)-amide]
CID 3180604
4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-({(4-dimethylamino-phenyl)-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-m-tolyl-amide)
CID 3185714

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide (CID 3179463) is 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide is CCCC(C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is SXHQHSNARUWBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3S/c1-6-7-18(23(31)27-13-12-14(2)3)29(17-10-8-16(9-11-17)15(4)5)24(32)21-19(25)20(22(26)30)28-33-21/h8-11,14-15,18H,6-7,12-13,25H2,1-5H3,(H2,26,30)(H,27,31).
What are the key properties of 4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 473.64 g/mol, XLogP of 3.93, 11 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-(3-methylbutylamino)-1-oxopentan-2-yl]-5-N-(4-propan-2-ylphenyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3179463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).