4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 106174563

IUPAC4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(C)(CC)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-4-12(3,6-7-17)16-10(18)8-9(13)15-11(19-8)14-5-2/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyQKIHDEYHICPRND-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.44
Rot. Bonds7

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

4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 106174563) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID106174563
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(C)(CC)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-4-12(3,6-7-17)16-10(18)8-9(13)15-11(19-8)14-5-2/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyQKIHDEYHICPRND-UHFFFAOYSA-N
XLogP1.44
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,3-thiazole-5-carboxamide
CID 107868763
4-amino-2-(ethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)-1,3-thiazole-5-carboxamide
CID 106150418
4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
CID 106258906
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116673706
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358518
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (CID 106174563) is 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC(C)(CC)CCO)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QKIHDEYHICPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-12(3,6-7-17)16-10(18)8-9(13)15-11(19-8)14-5-2/h17H,4-7,13H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106174563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).