N-(2-chloro-4-fluorophenyl)thian-4-amine

C11H13ClFNS — CID 43511380

IUPACN-(2-chloro-4-fluorophenyl)thian-4-amine
SMILESFc1ccc(NC2CCSCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyUDOYNSNGZFRKTJ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.79
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)thian-4-amine

N-(2-chloro-4-fluorophenyl)thian-4-amine (PubChem CID 43511380) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)thian-4-amine
PubChem CID43511380
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC NameN-(2-chloro-4-fluorophenyl)thian-4-amine
SMILESFc1ccc(NC2CCSCC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2
InChIKeyUDOYNSNGZFRKTJ-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methoxyphenyl)thian-4-amine
CID 115877189
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
2-chloro-4-fluoro-N-(3-methylcyclopentyl)aniline
CID 64502485
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
tert-butyl N-[4-fluoro-2-(thian-4-ylamino)phenyl]carbamate
CID 107240824
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
N-(2-bromo-4-chlorophenyl)thian-4-amine
CID 81263833
4-fluoro-2-N-(thiolan-3-yl)benzene-1,2-diamine
CID 103062345
6-bromo-N-(2-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63626922
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)thian-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)thian-4-amine (CID 43511380) is N-(2-chloro-4-fluorophenyl)thian-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)thian-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)thian-4-amine is Fc1ccc(NC2CCSCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)thian-4-amine?
The InChIKey is UDOYNSNGZFRKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c12-10-7-8(13)1-2-11(10)14-9-3-5-15-6-4-9/h1-2,7,9,14H,3-6H2.
What are the key properties of N-(2-chloro-4-fluorophenyl)thian-4-amine?
N-(2-chloro-4-fluorophenyl)thian-4-amine has a molecular weight of 245.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)thian-4-amine is sourced from PubChem (CID 43511380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).