N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

C14H16F2N2S — CID 63667756

IUPACN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2N2S/c1-4-17-13(14-18-8(2)9(3)19-14)10-6-5-7-11(15)12(10)16/h5-7,13,17H,4H2,1-3H3
InChIKeyGGRGCMLNHYLQOU-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.74
Rot. Bonds4

About N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 63667756) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID63667756
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)c(C)s1)c1cccc(F)c1F
InChIInChI=1S/C14H16F2N2S/c1-4-17-13(14-18-8(2)9(3)19-14)10-6-5-7-11(15)12(10)16/h5-7,13,17H,4H2,1-3H3
InChIKeyGGRGCMLNHYLQOU-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
N-[(2,3-difluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 63668613
N-[(4-bromo-5-methylthiophen-2-yl)-(2,3-difluorophenyl)methyl]ethanamine
CID 102827536
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
CID 61334622
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61331977
N-[(2,3-difluorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360302
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-(ethylamino)methyl]-N,N-dimethylaniline
CID 61331388
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-[(4-chloro-3-methylphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861982

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 63667756) is N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C)c(C)s1)c1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is GGRGCMLNHYLQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-4-17-13(14-18-8(2)9(3)19-14)10-6-5-7-11(15)12(10)16/h5-7,13,17H,4H2,1-3H3.
What are the key properties of N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 282.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63667756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).