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

C13H24N4O2S — CID 106358518

IUPAC4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CCO)C(C)(C)C)s1
InChIInChI=1S/C13H24N4O2S/c1-5-15-12-17-10(14)9(20-12)11(19)16-8(6-7-18)13(2,3)4/h8,18H,5-7,14H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyDYTAJFTXVIOTFF-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.68
Rot. Bonds6

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

4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 106358518) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID106358518
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NC(CCO)C(C)(C)C)s1
InChIInChI=1S/C13H24N4O2S/c1-5-15-12-17-10(14)9(20-12)11(19)16-8(6-7-18)13(2,3)4/h8,18H,5-7,14H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyDYTAJFTXVIOTFF-UHFFFAOYSA-N
XLogP1.68
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.68
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
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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-(2-methylpropyl)-1,3-thiazole-5-carboxamide
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4-amino-2-(ethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)-1,3-thiazole-5-carboxamide
CID 106150418
4-amino-N-(1-cyclohexylpropyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116665405
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-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-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-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-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide (CID 106358518) is 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NC(CCO)C(C)(C)C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DYTAJFTXVIOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-15-12-17-10(14)9(20-12)11(19)16-8(6-7-18)13(2,3)4/h8,18H,5-7,14H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.68, 6 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-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106358518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).