5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine

C12H13F2N3S — CID 82541961

IUPAC5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1
InChIInChI=1S/C12H13F2N3S/c1-6(15)11-10(17-12(16-2)18-11)7-3-8(13)5-9(14)4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeySSJFETXNOXDXSN-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.15
Rot. Bonds3

About 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 82541961) has the molecular formula C12H13F2N3S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID82541961
Molecular FormulaC12H13F2N3S
Molecular Weight269.32 g/mol
Exact Mass269.08
IUPAC Name5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1
InChIInChI=1S/C12H13F2N3S/c1-6(15)11-10(17-12(16-2)18-11)7-3-8(13)5-9(14)4-7/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeySSJFETXNOXDXSN-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 82541961) is 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2cc(F)cc(F)c2)c(C(C)N)s1.
What is the InChIKey of 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is SSJFETXNOXDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3S/c1-6(15)11-10(17-12(16-2)18-11)7-3-8(13)5-9(14)4-7/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 269.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-4-(3,5-difluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82541961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).