4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine

C15H14FN3S2 — CID 126619418

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3c(C)cccc3F)n2)s1
InChIInChI=1S/C15H14FN3S2/c1-8-5-4-6-11(16)13(8)19-15-18-12(7-20-15)14-9(2)17-10(3)21-14/h4-7H,1-3H3,(H,18,19)
InChIKeyQDUKZFMTACEXSW-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.07
Rot. Bonds3

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 126619418) has the molecular formula C15H14FN3S2 and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine
PubChem CID126619418
Molecular FormulaC15H14FN3S2
Molecular Weight319.43 g/mol
Exact Mass319.06
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1nc(C)c(-c2csc(Nc3c(C)cccc3F)n2)s1
InChIInChI=1S/C15H14FN3S2/c1-8-5-4-6-11(16)13(8)19-15-18-12(7-20-15)14-9(2)17-10(3)21-14/h4-7H,1-3H3,(H,18,19)
InChIKeyQDUKZFMTACEXSW-UHFFFAOYSA-N
XLogP5.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine (CID 126619418) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine is Cc1nc(C)c(-c2csc(Nc3c(C)cccc3F)n2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is QDUKZFMTACEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S2/c1-8-5-4-6-11(16)13(8)19-15-18-12(7-20-15)14-9(2)17-10(3)21-14/h4-7H,1-3H3,(H,18,19).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 126619418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).