4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine

C20H17N3O2S — CID 51002785

IUPAC4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFSIIFWHPLJLLRR-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine (PubChem CID 51002785) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
PubChem CID51002785
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFSIIFWHPLJLLRR-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine (CID 51002785) is 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The InChIKey is FSIIFWHPLJLLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 51002785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).