N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine

C7H9ClF2N2S — CID 115681800

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)s1)CC(F)F
InChIInChI=1S/C7H9ClF2N2S/c1-12(4-6(9)10)3-5-2-11-7(8)13-5/h2,6H,3-4H2,1H3
InChIKeyUWMIIGZJBBNJBQ-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.49
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 115681800) has the molecular formula C7H9ClF2N2S and a molecular weight of 226.68 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID115681800
Molecular FormulaC7H9ClF2N2S
Molecular Weight226.68 g/mol
Exact Mass226.01
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cnc(Cl)s1)CC(F)F
InChIInChI=1S/C7H9ClF2N2S/c1-12(4-6(9)10)3-5-2-11-7(8)13-5/h2,6H,3-4H2,1H3
InChIKeyUWMIIGZJBBNJBQ-UHFFFAOYSA-N
XLogP2.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine (CID 115681800) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1cnc(Cl)s1)CC(F)F.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is UWMIIGZJBBNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2S/c1-12(4-6(9)10)3-5-2-11-7(8)13-5/h2,6H,3-4H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 226.68 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 115681800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).