2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine

C13H11N3S2 — CID 79260065

IUPAC2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccnc(CSc2nc3ccccc3s2)c1
InChIInChI=1S/C13H11N3S2/c14-9-5-6-15-10(7-9)8-17-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8H2,(H2,14,15)
InChIKeyNYPBPVOYUGBOSP-UHFFFAOYSA-N
MW273.39 g/mol
LogP3.57
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine

2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine (PubChem CID 79260065) has the molecular formula C13H11N3S2 and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
PubChem CID79260065
Molecular FormulaC13H11N3S2
Molecular Weight273.39 g/mol
Exact Mass273.04
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
SMILESNc1ccnc(CSc2nc3ccccc3s2)c1
InChIInChI=1S/C13H11N3S2/c14-9-5-6-15-10(7-9)8-17-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8H2,(H2,14,15)
InChIKeyNYPBPVOYUGBOSP-UHFFFAOYSA-N
XLogP3.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095
2-(quinolin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 6919192
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-1,3-benzothiazole
CID 103054998
2-[(5-bromo-2-pyridinyl)methylsulfanyl]-1,3-benzothiazole
CID 113234593
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-chloroaniline
CID 62101103
4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
CID 62187667
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethylphenyl]methylsulfanyl]-1,3-benzothiazole
CID 4196112
7-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20873999
[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 43530097
4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
2-[[1-[(3,5-dichlorophenyl)methyl]triazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 155537893

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine (CID 79260065) is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine is Nc1ccnc(CSc2nc3ccccc3s2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine?
The InChIKey is NYPBPVOYUGBOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S2/c14-9-5-6-15-10(7-9)8-17-13-16-11-3-1-2-4-12(11)18-13/h1-7H,8H2,(H2,14,15).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine?
2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine has a molecular weight of 273.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine is sourced from PubChem (CID 79260065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).