N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine

C18H22N2S — CID 75428536

IUPACN-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2S/c1-14(20-18-8-12-21-13-9-18)15-2-4-16(5-3-15)17-6-10-19-11-7-17/h2-7,10-11,14,18,20H,8-9,12-13H2,1H3
InChIKeyVQDHADPCJFNSJF-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine

N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine (PubChem CID 75428536) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
PubChem CID75428536
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
SMILESCC(NC1CCSCC1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2S/c1-14(20-18-8-12-21-13-9-18)15-2-4-16(5-3-15)17-6-10-19-11-7-17/h2-7,10-11,14,18,20H,8-9,12-13H2,1H3
InChIKeyVQDHADPCJFNSJF-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]thian-4-amine
CID 81359779
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[1-(3,4-dichlorophenyl)ethyl]thian-4-amine
CID 43394908
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
CID 166285605
N-[1-(4-phenylphenyl)ethyl]cyclopentanamine
CID 43078880
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
CID 43224338

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine?
The IUPAC name of N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine (CID 75428536) is N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine.
What is the SMILES notation for N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine?
The canonical SMILES for N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine is CC(NC1CCSCC1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine?
The InChIKey is VQDHADPCJFNSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-14(20-18-8-12-21-13-9-18)15-2-4-16(5-3-15)17-6-10-19-11-7-17/h2-7,10-11,14,18,20H,8-9,12-13H2,1H3.
What are the key properties of N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine?
N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine has a molecular weight of 298.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine is sourced from PubChem (CID 75428536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).