4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

C12H21N5O3S — CID 106347702

IUPAC4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C(N)=O)C(C)C)s1
InChIInChI=1S/C12H21N5O3S/c1-6(2)7(10(14)18)16-11(19)8-9(13)17-12(21-8)15-4-5-20-3/h6-7H,4-5,13H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyAXHOJKXGQJPUHV-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.02
Rot. Bonds8

About 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106347702) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
PubChem CID106347702
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C(N)=O)C(C)C)s1
InChIInChI=1S/C12H21N5O3S/c1-6(2)7(10(14)18)16-11(19)8-9(13)17-12(21-8)15-4-5-20-3/h6-7H,4-5,13H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyAXHOJKXGQJPUHV-UHFFFAOYSA-N
XLogP0.02
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
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4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
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4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
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4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
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4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
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4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668979
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (CID 106347702) is 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NC(C(N)=O)C(C)C)s1.
What is the InChIKey of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is AXHOJKXGQJPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-6(2)7(10(14)18)16-11(19)8-9(13)17-12(21-8)15-4-5-20-3/h6-7H,4-5,13H2,1-3H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 0.02, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106347702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).