5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine

C19H17F2N5S — CID 143803741

IUPAC5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine
SMILESCc1cccc(N)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(N)n12
InChIInChI=1S/C19H17F2N5S/c1-9-5-3-8-13(22)15(9)24-18-16(14-11(20)6-4-7-12(14)21)25-19-26(18)17(23)10(2)27-19/h3-8,24H,22-23H2,1-2H3
InChIKeyUUFYPTJXLVXYDJ-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.87
Rot. Bonds3

About 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine

5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine (PubChem CID 143803741) has the molecular formula C19H17F2N5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine
PubChem CID143803741
Molecular FormulaC19H17F2N5S
Molecular Weight385.44 g/mol
Exact Mass385.12
IUPAC Name5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine
SMILESCc1cccc(N)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(N)n12
InChIInChI=1S/C19H17F2N5S/c1-9-5-3-8-13(22)15(9)24-18-16(14-11(20)6-4-7-12(14)21)25-19-26(18)17(23)10(2)27-19/h3-8,24H,22-23H2,1-2H3
InChIKeyUUFYPTJXLVXYDJ-UHFFFAOYSA-N
XLogP4.87
TPSA81.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine (CID 143803741) is 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine is Cc1cccc(N)c1Nc1c(-c2c(F)cccc2F)nc2sc(C)c(N)n12.
What is the InChIKey of 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine?
The InChIKey is UUFYPTJXLVXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5S/c1-9-5-3-8-13(22)15(9)24-18-16(14-11(20)6-4-7-12(14)21)25-19-26(18)17(23)10(2)27-19/h3-8,24H,22-23H2,1-2H3.
What are the key properties of 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine?
5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine has a molecular weight of 385.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-amino-6-methylphenyl)-6-(2,6-difluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-3,5-diamine is sourced from PubChem (CID 143803741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).