N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine

C20H16N2S2 — CID 54584031

IUPACN-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(CN(c2ccccc2)c2ncc(-c3cccs3)s2)cc1
InChIInChI=1S/C20H16N2S2/c1-3-8-16(9-4-1)15-22(17-10-5-2-6-11-17)20-21-14-19(24-20)18-12-7-13-23-18/h1-14H,15H2
InChIKeyQPOXIDVOJPPJQL-UHFFFAOYSA-N
MW348.50 g/mol
LogP6.21
Rot. Bonds5

About N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine

N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 54584031) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID54584031
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC NameN-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(CN(c2ccccc2)c2ncc(-c3cccs3)s2)cc1
InChIInChI=1S/C20H16N2S2/c1-3-8-16(9-4-1)15-22(17-10-5-2-6-11-17)20-21-14-19(24-20)18-12-7-13-23-18/h1-14H,15H2
InChIKeyQPOXIDVOJPPJQL-UHFFFAOYSA-N
XLogP6.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine (CID 54584031) is N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine is c1ccc(CN(c2ccccc2)c2ncc(-c3cccs3)s2)cc1.
What is the InChIKey of N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is QPOXIDVOJPPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-3-8-16(9-4-1)15-22(17-10-5-2-6-11-17)20-21-14-19(24-20)18-12-7-13-23-18/h1-14H,15H2.
What are the key properties of N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine?
N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 348.50 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenyl-5-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 54584031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).