3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine

C16H17N3OS — CID 62467130

IUPAC3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1nc2ccccc2o1
InChIInChI=1S/C16H17N3OS/c1-2-9-17-15-12(6-5-10-18-15)11-21-16-19-13-7-3-4-8-14(13)20-16/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyCIWXNYYZGMYYSQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.34
Rot. Bonds6

About 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine

3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine (PubChem CID 62467130) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
PubChem CID62467130
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1CSc1nc2ccccc2o1
InChIInChI=1S/C16H17N3OS/c1-2-9-17-15-12(6-5-10-18-15)11-21-16-19-13-7-3-4-8-14(13)20-16/h3-8,10H,2,9,11H2,1H3,(H,17,18)
InChIKeyCIWXNYYZGMYYSQ-UHFFFAOYSA-N
XLogP4.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
2-[(2,5-dimethylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4073218
N-propyl-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55076591
5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
CID 4621437
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-ethyl-N-methylbenzamide
CID 134005631
1-(1,3-benzoxazol-2-ylsulfanyl)-N-propylbutan-2-amine
CID 64650346
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552
N-propyl-1,3-benzoxazol-2-amine
CID 584386
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 80892797
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 106925655
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-fluoroaniline
CID 107349771
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(2-methoxyethyl)benzamide
CID 7999021

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine (CID 62467130) is 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine is CCCNc1ncccc1CSc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine?
The InChIKey is CIWXNYYZGMYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-9-17-15-12(6-5-10-18-15)11-21-16-19-13-7-3-4-8-14(13)20-16/h3-8,10H,2,9,11H2,1H3,(H,17,18).
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine?
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 62467130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).