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

C11H15N5O2S2 — CID 116668979

IUPAC4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C11H15N5O2S2/c1-6-5-19-11(14-6)16-9(17)7-8(12)15-10(20-7)13-3-4-18-2/h5H,3-4,12H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeySRPXSGMMTLMHAL-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.80
Rot. Bonds6

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

4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116668979) has the molecular formula C11H15N5O2S2 and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116668979
Molecular FormulaC11H15N5O2S2
Molecular Weight313.41 g/mol
Exact Mass313.07
IUPAC Name4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCOCCNc1nc(N)c(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C11H15N5O2S2/c1-6-5-19-11(14-6)16-9(17)7-8(12)15-10(20-7)13-3-4-18-2/h5H,3-4,12H2,1-2H3,(H,13,15)(H,14,16,17)
InChIKeySRPXSGMMTLMHAL-UHFFFAOYSA-N
XLogP1.80
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668816
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-but-2-ynyl-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116673066
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-(3-amino-3-oxopropyl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116670183
4-amino-2-(2-methoxyethylamino)-N-(2-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 116663722
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-(4-methylsulfinylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673733
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-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 116668979) is 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is COCCNc1nc(N)c(C(=O)Nc2nc(C)cs2)s1.
What is the InChIKey of 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SRPXSGMMTLMHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S2/c1-6-5-19-11(14-6)16-9(17)7-8(12)15-10(20-7)13-3-4-18-2/h5H,3-4,12H2,1-2H3,(H,13,15)(H,14,16,17).
What are the key properties of 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).