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

C14H26N4O2S — CID 116666462

IUPAC4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)CCC(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-9(2)5-6-10(3)17-13(19)11-12(15)18-14(21-11)16-7-8-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDCUQNGZGIMRKKA-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.34
Rot. Bonds9

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

4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116666462) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116666462
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)NC(C)CCC(C)C)s1
InChIInChI=1S/C14H26N4O2S/c1-9(2)5-6-10(3)17-13(19)11-12(15)18-14(21-11)16-7-8-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDCUQNGZGIMRKKA-UHFFFAOYSA-N
XLogP2.34
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
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-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673733
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
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-N-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673698

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (CID 116666462) is 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)NC(C)CCC(C)C)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DCUQNGZGIMRKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-9(2)5-6-10(3)17-13(19)11-12(15)18-14(21-11)16-7-8-20-4/h9-10H,5-8,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 2.34, 9 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-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).