N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

C20H14N6S — CID 52943263

IUPACN-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
SMILESc1ccc(-c2nccn2-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1
InChIInChI=1S/C20H14N6S/c1-2-4-14(5-3-1)19-21-10-11-26(19)18-8-9-22-20(25-18)24-15-6-7-16-17(12-15)27-13-23-16/h1-13H,(H,22,24,25)
InChIKeyXNWDFOJJGQRDNC-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.68
Rot. Bonds4

About N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine

N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine (PubChem CID 52943263) has the molecular formula C20H14N6S and a molecular weight of 370.44 g/mol. Its IUPAC name is N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
PubChem CID52943263
Molecular FormulaC20H14N6S
Molecular Weight370.44 g/mol
Exact Mass370.10
IUPAC NameN-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
SMILESc1ccc(-c2nccn2-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1
InChIInChI=1S/C20H14N6S/c1-2-4-14(5-3-1)19-21-10-11-26(19)18-8-9-22-20(25-18)24-15-6-7-16-17(12-15)27-13-23-16/h1-13H,(H,22,24,25)
InChIKeyXNWDFOJJGQRDNC-UHFFFAOYSA-N
XLogP4.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine (CID 52943263) is N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine is c1ccc(-c2nccn2-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1.
What is the InChIKey of N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
The InChIKey is XNWDFOJJGQRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6S/c1-2-4-14(5-3-1)19-21-10-11-26(19)18-8-9-22-20(25-18)24-15-6-7-16-17(12-15)27-13-23-16/h1-13H,(H,22,24,25).
What are the key properties of N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine?
N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine has a molecular weight of 370.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylimidazol-1-yl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 52943263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).