N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

C17H16N2S — CID 134846477

IUPACN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESc1ccc(Nc2ccnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C17H16N2S/c1-2-6-12(7-3-1)19-14-10-11-18-17-16(14)13-8-4-5-9-15(13)20-17/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,19)
InChIKeySCIOHPJOAMXYJW-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.92
Rot. Bonds2

About N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine

N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (PubChem CID 134846477) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
PubChem CID134846477
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC NameN-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine
SMILESc1ccc(Nc2ccnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C17H16N2S/c1-2-6-12(7-3-1)19-14-10-11-18-17-16(14)13-8-4-5-9-15(13)20-17/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,19)
InChIKeySCIOHPJOAMXYJW-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
Thieno[2,3-b]pyridin-3-amine
CID 289923
3-Amino-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carbonitrile
CID 690864
3-amino-4-(pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carbonitrile
CID 947875
rac-N,N-dimethyl-2-(3-(1-(4-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11702578
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062
US11608337, Example 14
CID 132085819
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137648186
N-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 723144
3-Amino-thieno[2,3-b]pyridine-2-carbonitrile
CID 12260765
N,N-dimethyl-N'-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 2917695
N-(1-benzothiophen-3-ylmethyl)-N'-quinolin-4-ylbutane-1,4-diamine
CID 145971383

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine (CID 134846477) is N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is c1ccc(Nc2ccnc3sc4c(c23)CCCC4)cc1.
What is the InChIKey of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
The InChIKey is SCIOHPJOAMXYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-2-6-12(7-3-1)19-14-10-11-18-17-16(14)13-8-4-5-9-15(13)20-17/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,19).
What are the key properties of N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine?
N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine has a molecular weight of 280.40 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 134846477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).