4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

C11H16N4O2S — CID 116673066

IUPAC4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCC#CCNC(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C11H16N4O2S/c1-3-4-5-13-10(16)8-9(12)15-11(18-8)14-6-7-17-2/h5-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWHPQTUPLJGZENM-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.54
Rot. Bonds6

About 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673066) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673066
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
SMILESCC#CCNC(=O)c1sc(NCCOC)nc1N
InChIInChI=1S/C11H16N4O2S/c1-3-4-5-13-10(16)8-9(12)15-11(18-8)14-6-7-17-2/h5-7,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyWHPQTUPLJGZENM-UHFFFAOYSA-N
XLogP0.54
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-2-(2-methoxyethylamino)-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673108
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116669742
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-(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-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668979
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide (CID 116673066) is 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is CC#CCNC(=O)c1sc(NCCOC)nc1N.
What is the InChIKey of 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is WHPQTUPLJGZENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-3-4-5-13-10(16)8-9(12)15-11(18-8)14-6-7-17-2/h5-7,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).