(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H11ClFNS — CID 138556105

IUPAC(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m0/s1
InChIKeyHKTICMNIBXJRCP-ZDUSSCGKSA-N
MW267.76 g/mol
LogP3.78
Rot. Bonds1

About (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 138556105) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID138556105
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m0/s1
InChIKeyHKTICMNIBXJRCP-ZDUSSCGKSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ticlopidine
CID 5472
Ticlopidine Hydrochloride
CID 65335
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
4-(4-Chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 2739269
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 44535881
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((4-chlorophenyl)methyl)-, monohydrochloride
CID 3041280
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
2-chloro-6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587607
4-(4-chlorophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587634
1-[(4-Chlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 285511

Frequently Asked Questions

What is the IUPAC name of (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 138556105) is (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1ccc([C@@H]2NCCc3sc(Cl)cc32)cc1.
What is the InChIKey of (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is HKTICMNIBXJRCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m0/s1.
What are the key properties of (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
(4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 267.76 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 138556105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).