4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide

C11H20N4O3S — CID 107868763

IUPAC4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CC)(CO)CO)s1
InChIInChI=1S/C11H20N4O3S/c1-3-11(5-16,6-17)15-9(18)7-8(12)14-10(19-7)13-4-2/h16-17H,3-6,12H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyOHUSGPHDDZVGPH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.02
Rot. Bonds7

About 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 107868763) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID107868763
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CC)(CO)CO)s1
InChIInChI=1S/C11H20N4O3S/c1-3-11(5-16,6-17)15-9(18)7-8(12)14-10(19-7)13-4-2/h16-17H,3-6,12H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyOHUSGPHDDZVGPH-UHFFFAOYSA-N
XLogP0.02
TPSA120.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
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4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
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4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
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4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(ethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide (CID 107868763) is 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC(CC)(CO)CO)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is OHUSGPHDDZVGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-3-11(5-16,6-17)15-9(18)7-8(12)14-10(19-7)13-4-2/h16-17H,3-6,12H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.02, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107868763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).