N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C6H10FN3S — CID 70457961

IUPACN'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(F)s1
InChIInChI=1S/C6H10FN3S/c7-6-10-4-5(11-6)3-9-2-1-8/h4,9H,1-3,8H2
InChIKeyFTNVYHIWYQLONY-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.33
Rot. Bonds4

About N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 70457961) has the molecular formula C6H10FN3S and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID70457961
Molecular FormulaC6H10FN3S
Molecular Weight175.23 g/mol
Exact Mass175.06
IUPAC NameN'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(F)s1
InChIInChI=1S/C6H10FN3S/c7-6-10-4-5(11-6)3-9-2-1-8/h4,9H,1-3,8H2
InChIKeyFTNVYHIWYQLONY-UHFFFAOYSA-N
XLogP0.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 70457961) is N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is NCCNCc1cnc(F)s1.
What is the InChIKey of N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is FTNVYHIWYQLONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3S/c7-6-10-4-5(11-6)3-9-2-1-8/h4,9H,1-3,8H2.
What are the key properties of N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 175.23 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70457961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).