4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C21H18N4OS — CID 89427080

IUPAC4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cn1
InChIInChI=1S/C21H18N4OS/c1-14-4-3-5-19(23-14)25-21-24-18(13-27-21)16-8-6-15(7-9-16)17-10-11-20(26-2)22-12-17/h3-13H,1-2H3,(H,23,24,25)
InChIKeyDXQRHJLUQCVTKN-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.33
Rot. Bonds5

About 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89427080) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89427080
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cn1
InChIInChI=1S/C21H18N4OS/c1-14-4-3-5-19(23-14)25-21-24-18(13-27-21)16-8-6-15(7-9-16)17-10-11-20(26-2)22-12-17/h3-13H,1-2H3,(H,23,24,25)
InChIKeyDXQRHJLUQCVTKN-UHFFFAOYSA-N
XLogP5.33
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89427080) is 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)cn1.
What is the InChIKey of 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is DXQRHJLUQCVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-4-3-5-19(23-14)25-21-24-18(13-27-21)16-8-6-15(7-9-16)17-10-11-20(26-2)22-12-17/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 374.47 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-3-pyridinyl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89427080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).