3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine

C11H12FN3S — CID 63242054

IUPAC3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(F)cccc1NCCc1nccs1
InChIInChI=1S/C11H12FN3S/c12-8-2-1-3-9(11(8)13)14-5-4-10-15-6-7-16-10/h1-3,6-7,14H,4-5,13H2
InChIKeyPTJBYTMPFMOBLK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.52
Rot. Bonds4

About 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine

3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine (PubChem CID 63242054) has the molecular formula C11H12FN3S and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
PubChem CID63242054
Molecular FormulaC11H12FN3S
Molecular Weight237.30 g/mol
Exact Mass237.07
IUPAC Name3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
SMILESNc1c(F)cccc1NCCc1nccs1
InChIInChI=1S/C11H12FN3S/c12-8-2-1-3-9(11(8)13)14-5-4-10-15-6-7-16-10/h1-3,6-7,14H,4-5,13H2
InChIKeyPTJBYTMPFMOBLK-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 62196976
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
3,4-difluoro-2-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242145
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
3-fluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394045
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
1-N-[2-(4-chlorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 61380758
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
5-fluoro-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828101
2-bromo-6-[2-(1,3-thiazol-2-yl)ethylamino]benzonitrile
CID 114881026
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine (CID 63242054) is 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine is Nc1c(F)cccc1NCCc1nccs1.
What is the InChIKey of 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
The InChIKey is PTJBYTMPFMOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3S/c12-8-2-1-3-9(11(8)13)14-5-4-10-15-6-7-16-10/h1-3,6-7,14H,4-5,13H2.
What are the key properties of 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine?
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine has a molecular weight of 237.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 63242054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).