4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 106258906

IUPAC4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC(CC)(CC)CO)s1
InChIInChI=1S/C13H24N4O2S/c1-4-13(5-2,8-18)7-16-11(19)9-10(14)17-12(20-9)15-6-3/h18H,4-8,14H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyXPAKZKUHGCLJNM-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.69
Rot. Bonds8

About 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide (PubChem CID 106258906) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
PubChem CID106258906
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC(CC)(CC)CO)s1
InChIInChI=1S/C13H24N4O2S/c1-4-13(5-2,8-18)7-16-11(19)9-10(14)17-12(20-9)15-6-3/h18H,4-8,14H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyXPAKZKUHGCLJNM-UHFFFAOYSA-N
XLogP1.69
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.69
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-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(ethylamino)-N-(1-hydroxy-3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106174563
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(ethylamino)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106358518
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide (CID 106258906) is 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCC(CC)(CC)CO)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XPAKZKUHGCLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-13(5-2,8-18)7-16-11(19)9-10(14)17-12(20-9)15-6-3/h18H,4-8,14H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.69, 8 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-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106258906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).