4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C17H17N3O2S — CID 2877445

IUPAC4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1OC
InChIInChI=1S/C17H17N3O2S/c1-11-6-7-18-16(8-11)20-17-19-13(10-23-17)12-4-5-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGRSLWTICOZDPPC-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.27
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 2877445) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID2877445
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1OC
InChIInChI=1S/C17H17N3O2S/c1-11-6-7-18-16(8-11)20-17-19-13(10-23-17)12-4-5-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyGRSLWTICOZDPPC-UHFFFAOYSA-N
XLogP4.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.27
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-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 2877445) is 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is GRSLWTICOZDPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-6-7-18-16(8-11)20-17-19-13(10-23-17)12-4-5-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 327.41 g/mol, XLogP of 4.27, 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-(4-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2877445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).