5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine

C13H15N3S — CID 71380523

IUPAC5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine
SMILESCN(C)c1ccc(Sc2ccc(N)nc2)cc1
InChIInChI=1S/C13H15N3S/c1-16(2)10-3-5-11(6-4-10)17-12-7-8-13(14)15-9-12/h3-9H,1-2H3,(H2,14,15)
InChIKeyPTQHKMOKBCZSPQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.88
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine

5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine (PubChem CID 71380523) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine
PubChem CID71380523
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine
SMILESCN(C)c1ccc(Sc2ccc(N)nc2)cc1
InChIInChI=1S/C13H15N3S/c1-16(2)10-3-5-11(6-4-10)17-12-7-8-13(14)15-9-12/h3-9H,1-2H3,(H2,14,15)
InChIKeyPTQHKMOKBCZSPQ-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Isothipendyl
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Prothipendyl
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CID 81130
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
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CID 3642065
2-(Phenylsulfanyl)pyridin-3-amine
CID 819361
Sulfapyridine Sodium
CID 23667654
Azaphenothiazine
CID 67496
Prothipendyl Hydrochloride
CID 14669
10-(2-propynyl)-10H-pyrido[3,2-b][1,4]benzothiazine
CID 1483729

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine (CID 71380523) is 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine is CN(C)c1ccc(Sc2ccc(N)nc2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine?
The InChIKey is PTQHKMOKBCZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16(2)10-3-5-11(6-4-10)17-12-7-8-13(14)15-9-12/h3-9H,1-2H3,(H2,14,15).
What are the key properties of 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine?
5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]sulfanylpyridin-2-amine is sourced from PubChem (CID 71380523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).