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

C14H18N4O2S — CID 116668816

IUPAC4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-9-3-5-10(6-4-9)17-13(19)11-12(15)18-14(21-11)16-7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRSGDWPOUCNXNBY-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.34
Rot. Bonds6

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

4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116668816) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116668816
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C14H18N4O2S/c1-9-3-5-10(6-4-9)17-13(19)11-12(15)18-14(21-11)16-7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRSGDWPOUCNXNBY-UHFFFAOYSA-N
XLogP2.34
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.34
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-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668979
4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
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-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698
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-2-(2-methoxyethylamino)-N-(1-methoxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667168
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
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-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116668816) is 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)Nc2ccc(C)cc2)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is RSGDWPOUCNXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-3-5-10(6-4-9)17-13(19)11-12(15)18-14(21-11)16-7-8-20-2/h3-6H,7-8,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.34, 6 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-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).