N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine

C24H22N2S — CID 146220860

IUPACN,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccnc(C)c3)s2)cc1
InChIInChI=1S/C24H22N2S/c1-17-4-8-21(9-5-17)26(22-10-6-18(2)7-11-22)24-13-12-23(27-24)20-14-15-25-19(3)16-20/h4-16H,1-3H3
InChIKeyWTXMZUSZYZJVBX-UHFFFAOYSA-N
MW370.52 g/mol
LogP7.21
Rot. Bonds4

About N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine

N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine (PubChem CID 146220860) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine
PubChem CID146220860
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC NameN,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccnc(C)c3)s2)cc1
InChIInChI=1S/C24H22N2S/c1-17-4-8-21(9-5-17)26(22-10-6-18(2)7-11-22)24-13-12-23(27-24)20-14-15-25-19(3)16-20/h4-16H,1-3H3
InChIKeyWTXMZUSZYZJVBX-UHFFFAOYSA-N
XLogP7.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine (CID 146220860) is N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccnc(C)c3)s2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine?
The InChIKey is WTXMZUSZYZJVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2S/c1-17-4-8-21(9-5-17)26(22-10-6-18(2)7-11-22)24-13-12-23(27-24)20-14-15-25-19(3)16-20/h4-16H,1-3H3.
What are the key properties of N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine?
N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine has a molecular weight of 370.52 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-5-(2-methyl-4-pyridinyl)thiophen-2-amine is sourced from PubChem (CID 146220860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).