N-(2,3-difluorophenyl)-2-methylthian-3-amine

C12H15F2NS — CID 79957761

IUPACN-(2,3-difluorophenyl)-2-methylthian-3-amine
SMILESCC1SCCCC1Nc1cccc(F)c1F
InChIInChI=1S/C12H15F2NS/c1-8-10(6-3-7-16-8)15-11-5-2-4-9(13)12(11)14/h2,4-5,8,10,15H,3,6-7H2,1H3
InChIKeyOKNJLIZJFBFXKM-UHFFFAOYSA-N
MW243.32 g/mol
LogP3.66
Rot. Bonds2

About N-(2,3-difluorophenyl)-2-methylthian-3-amine

N-(2,3-difluorophenyl)-2-methylthian-3-amine (PubChem CID 79957761) has the molecular formula C12H15F2NS and a molecular weight of 243.32 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-2-methylthian-3-amine
PubChem CID79957761
Molecular FormulaC12H15F2NS
Molecular Weight243.32 g/mol
Exact Mass243.09
IUPAC NameN-(2,3-difluorophenyl)-2-methylthian-3-amine
SMILESCC1SCCCC1Nc1cccc(F)c1F
InChIInChI=1S/C12H15F2NS/c1-8-10(6-3-7-16-8)15-11-5-2-4-9(13)12(11)14/h2,4-5,8,10,15H,3,6-7H2,1H3
InChIKeyOKNJLIZJFBFXKM-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylphenyl)-2-methylthian-3-amine
CID 107629947
2-methyl-N-(2-phenylphenyl)thian-3-amine
CID 79957077
N-(2,6-dichlorophenyl)-2-methylthian-3-amine
CID 79957419
2-methyl-N-(2-methylsulfonylphenyl)thian-3-amine
CID 79956934
N-(2-methylthian-3-yl)isoquinolin-5-amine
CID 79957197
N,2-dimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79957935
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
CID 79957855
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
N-[2-(diethylaminomethyl)phenyl]-2-methylthian-3-amine
CID 79956755
2,4-difluoro-5-[(2-methylthian-3-yl)amino]benzamide
CID 79956737
N-(3-chloro-2-imidazol-1-ylphenyl)-2-methylthian-3-amine
CID 79956645
2-methyl-N-(4-methylphenyl)thian-3-amine
CID 79957900

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-2-methylthian-3-amine?
The IUPAC name of N-(2,3-difluorophenyl)-2-methylthian-3-amine (CID 79957761) is N-(2,3-difluorophenyl)-2-methylthian-3-amine.
What is the SMILES notation for N-(2,3-difluorophenyl)-2-methylthian-3-amine?
The canonical SMILES for N-(2,3-difluorophenyl)-2-methylthian-3-amine is CC1SCCCC1Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-2-methylthian-3-amine?
The InChIKey is OKNJLIZJFBFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NS/c1-8-10(6-3-7-16-8)15-11-5-2-4-9(13)12(11)14/h2,4-5,8,10,15H,3,6-7H2,1H3.
What are the key properties of N-(2,3-difluorophenyl)-2-methylthian-3-amine?
N-(2,3-difluorophenyl)-2-methylthian-3-amine has a molecular weight of 243.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-2-methylthian-3-amine is sourced from PubChem (CID 79957761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).