4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116668835

IUPAC4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-19-8-6-7-15-11(18)9-10(14)16-12(20-9)17-13(2,3)4/h5-8,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyXGEKMASTAGPSBG-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.09
Rot. Bonds7

About 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668835) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID116668835
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCOCCCNC(=O)c1sc(NC(C)(C)C)nc1N
InChIInChI=1S/C13H24N4O2S/c1-5-19-8-6-7-15-11(18)9-10(14)16-12(20-9)17-13(2,3)4/h5-8,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyXGEKMASTAGPSBG-UHFFFAOYSA-N
XLogP2.09
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(tert-butylamino)-N-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116665457
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 106242080
4-amino-2-(tert-butylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666516
4-amino-2-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670268
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116668840
4-amino-2-(tert-butylamino)-N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 106174586
4-amino-2-(tert-butylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670296
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide (CID 116668835) is 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide is CCOCCCNC(=O)c1sc(NC(C)(C)C)nc1N.
What is the InChIKey of 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XGEKMASTAGPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-5-19-8-6-7-15-11(18)9-10(14)16-12(20-9)17-13(2,3)4/h5-8,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(tert-butylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).