2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine

C11H11F2N3S — CID 61280409

IUPAC2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
SMILESCc1ncc(CNc2c(F)cc(N)cc2F)s1
InChIInChI=1S/C11H11F2N3S/c1-6-15-4-8(17-6)5-16-11-9(12)2-7(14)3-10(11)13/h2-4,16H,5,14H2,1H3
InChIKeyHSZLUHKICAHVOG-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.92
Rot. Bonds3

About 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine

2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine (PubChem CID 61280409) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
PubChem CID61280409
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine
SMILESCc1ncc(CNc2c(F)cc(N)cc2F)s1
InChIInChI=1S/C11H11F2N3S/c1-6-15-4-8(17-6)5-16-11-9(12)2-7(14)3-10(11)13/h2-4,16H,5,14H2,1H3
InChIKeyHSZLUHKICAHVOG-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine (CID 61280409) is 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine is Cc1ncc(CNc2c(F)cc(N)cc2F)s1.
What is the InChIKey of 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
The InChIKey is HSZLUHKICAHVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-6-15-4-8(17-6)5-16-11-9(12)2-7(14)3-10(11)13/h2-4,16H,5,14H2,1H3.
What are the key properties of 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine?
2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine has a molecular weight of 255.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 61280409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).