4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

C12H22N4O3S — CID 116673698

IUPAC4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)(C)CCO)s1
InChIInChI=1S/C12H22N4O3S/c1-12(2,4-6-17)16-10(18)8-9(13)15-11(20-8)14-5-7-19-3/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyFYBIKOQZJXKLCT-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.67
Rot. Bonds8

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

4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673698) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673698
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)(C)CCO)s1
InChIInChI=1S/C12H22N4O3S/c1-12(2,4-6-17)16-10(18)8-9(13)15-11(20-8)14-5-7-19-3/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyFYBIKOQZJXKLCT-UHFFFAOYSA-N
XLogP0.67
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.67
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

4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106347702
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106174563
4-amino-2-[ethyl(methyl)amino]-N-(4-hydroxy-2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673701

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (CID 116673698) is 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NC(C)(C)CCO)s1.
What is the InChIKey of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is FYBIKOQZJXKLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-12(2,4-6-17)16-10(18)8-9(13)15-11(20-8)14-5-7-19-3/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 0.67, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).