4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C15H23N3OS — CID 8961977

IUPAC4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCCn1c(C)cc(-c2csc(NCCOC)n2)c1C
InChIInChI=1S/C15H23N3OS/c1-5-7-18-11(2)9-13(12(18)3)14-10-20-15(17-14)16-6-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyBJODBRVFOWSZTD-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.70
Rot. Bonds7

About 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 8961977) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID8961977
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCCCn1c(C)cc(-c2csc(NCCOC)n2)c1C
InChIInChI=1S/C15H23N3OS/c1-5-7-18-11(2)9-13(12(18)3)14-10-20-15(17-14)16-6-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyBJODBRVFOWSZTD-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 8961977) is 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is CCCn1c(C)cc(-c2csc(NCCOC)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is BJODBRVFOWSZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-7-18-11(2)9-13(12(18)3)14-10-20-15(17-14)16-6-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8961977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).