4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide

C12H20N4O2S — CID 116673108

IUPAC4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C12H20N4O2S/c1-3-4-5-6-14-11(17)9-10(13)16-12(19-9)15-7-8-18-2/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,16)/b4-3+
InChIKeyGKOYTYIHDBPEOG-ONEGZZNKSA-N
MW284.38 g/mol
LogP1.48
Rot. Bonds8

About 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide

4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide (PubChem CID 116673108) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
PubChem CID116673108
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
SMILESC/C=C/CCNC(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C12H20N4O2S/c1-3-4-5-6-14-11(17)9-10(13)16-12(19-9)15-7-8-18-2/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,16)/b4-3+
InChIKeyGKOYTYIHDBPEOG-ONEGZZNKSA-N
XLogP1.48
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-(5-hydroxypentyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 107324454
4-amino-N-(3-ethoxypropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116668830
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
4-amino-N-(4-hydroxy-2,2-dimethylbutyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106150408
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
4-amino-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
4-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 106347702
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide (CID 116673108) is 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide is C/C=C/CCNC(=O)c1sc(NCCOC)nc1N.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GKOYTYIHDBPEOG-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-4-5-6-14-11(17)9-10(13)16-12(19-9)15-7-8-18-2/h3-4H,5-8,13H2,1-2H3,(H,14,17)(H,15,16)/b4-3+.
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).