5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine

C13H13ClN2OS — CID 43301933

IUPAC5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1CSc1ccc(N)nc1
InChIInChI=1S/C13H13ClN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-11-3-5-13(15)16-7-11/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyLINKWNJBFYYUFF-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.62
Rot. Bonds4

About 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine

5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine (PubChem CID 43301933) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
PubChem CID43301933
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine
SMILESCOc1ccc(Cl)cc1CSc1ccc(N)nc1
InChIInChI=1S/C13H13ClN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-11-3-5-13(15)16-7-11/h2-7H,8H2,1H3,(H2,15,16)
InChIKeyLINKWNJBFYYUFF-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,5-dimethoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43301902
4-[(5-chloro-2-methoxyphenyl)methylsulfanyl]phenol
CID 60864407
4-chloro-2-[[4-(chloromethyl)phenyl]sulfanylmethyl]-1-methoxybenzene
CID 113373738
3-chloro-2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]aniline
CID 43304660
2-chloro-4-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]aniline
CID 79149364
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
5-[(2-chloroquinolin-3-yl)methylsulfanyl]pyridin-2-amine
CID 43302005
4-chloro-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]aniline
CID 79527710
4-chloro-2-[(2,5-dimethoxyphenyl)methylsulfanyl]aniline
CID 79527794
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
[5-[(4-chlorophenyl)sulfanylmethyl]-2-methoxyphenyl]methanamine
CID 65338654

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine (CID 43301933) is 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine is COc1ccc(Cl)cc1CSc1ccc(N)nc1.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
The InChIKey is LINKWNJBFYYUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-17-12-4-2-10(14)6-9(12)8-18-11-3-5-13(15)16-7-11/h2-7H,8H2,1H3,(H2,15,16).
What are the key properties of 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine?
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine has a molecular weight of 280.78 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).