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

C7H11F2N3OS — CID 70458327

IUPACN'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(OC(F)F)s1
InChIInChI=1S/C7H11F2N3OS/c8-6(9)13-7-12-4-5(14-7)3-11-2-1-10/h4,6,11H,1-3,10H2
InChIKeyZQXGVCZSHXSNKS-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.79
Rot. Bonds6

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

N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (PubChem CID 70458327) has the molecular formula C7H11F2N3OS and a molecular weight of 223.25 g/mol. Its IUPAC name is N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
PubChem CID70458327
Molecular FormulaC7H11F2N3OS
Molecular Weight223.25 g/mol
Exact Mass223.06
IUPAC NameN'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
SMILESNCCNCc1cnc(OC(F)F)s1
InChIInChI=1S/C7H11F2N3OS/c8-6(9)13-7-12-4-5(14-7)3-11-2-1-10/h4,6,11H,1-3,10H2
InChIKeyZQXGVCZSHXSNKS-UHFFFAOYSA-N
XLogP0.79
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxy-1,3-thiazol-5-yl)methanamine
CID 16494790
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 19046697
1-[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanamine hydrochloride
CID 165691597
2-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methylamino]ethanethiol
CID 21698294
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
(2-Fluoro-1,3-thiazol-5-yl)methanamine
CID 66973581
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961
N'-[[2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70457990
N'-[[2-[chloro(difluoro)methyl]sulfanyl-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458314
N'-[(2-chloro-1,3-thiazol-5-yl)-(difluoromethylsulfanyl)methyl]ethane-1,2-diamine
CID 70458317
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine (CID 70458327) is N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is NCCNCc1cnc(OC(F)F)s1.
What is the InChIKey of N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is ZQXGVCZSHXSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3OS/c8-6(9)13-7-12-4-5(14-7)3-11-2-1-10/h4,6,11H,1-3,10H2.
What are the key properties of N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine?
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 223.25 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).