4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

C18H20N4O2S — CID 145477660

IUPAC4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
SMILESCOc1ccc(Sc2ccc(NN3CCCCC3)c3nonc23)cc1
InChIInChI=1S/C18H20N4O2S/c1-23-13-5-7-14(8-6-13)25-16-10-9-15(17-18(16)21-24-20-17)19-22-11-3-2-4-12-22/h5-10,19H,2-4,11-12H2,1H3
InChIKeyFCQCHZUEDKVLJK-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.20
Rot. Bonds5

About 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine

4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine (PubChem CID 145477660) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
PubChem CID145477660
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine
SMILESCOc1ccc(Sc2ccc(NN3CCCCC3)c3nonc23)cc1
InChIInChI=1S/C18H20N4O2S/c1-23-13-5-7-14(8-6-13)25-16-10-9-15(17-18(16)21-24-20-17)19-22-11-3-2-4-12-22/h5-10,19H,2-4,11-12H2,1H3
InChIKeyFCQCHZUEDKVLJK-UHFFFAOYSA-N
XLogP4.20
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazol-4-yl]sulfonyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 25072094
5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine
CID 71186469
5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
4-methoxy-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17174256
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
4-N-(4-methoxyphenyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 43518501
N-(4-methoxy-2-nitrophenyl)-4-nitro-5-pyrrolidin-1-yl-2,1,3-benzoxadiazol-7-amine
CID 3782877
7-methoxy-N-piperidin-1-ylisoquinolin-1-amine
CID 106539299
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfanyl)-7-(4-methoxyphenyl)sulfanyl-2,1,3-benzothiadiazole
CID 71187388
1-(4-methoxyphenyl)piperidine
CID 10130315
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine (CID 145477660) is 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine is COc1ccc(Sc2ccc(NN3CCCCC3)c3nonc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
The InChIKey is FCQCHZUEDKVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-13-5-7-14(8-6-13)25-16-10-9-15(17-18(16)21-24-20-17)19-22-11-3-2-4-12-22/h5-10,19H,2-4,11-12H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine?
4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine has a molecular weight of 356.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfanyl-N-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 145477660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).