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

C17H17N3O2S — CID 973120

IUPAC4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC
InChIInChI=1S/C17H17N3O2S/c1-11-5-4-8-18-16(11)20-17-19-13(10-23-17)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyQLDLWULSIMIMHS-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.27
Rot. Bonds5

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

4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 973120) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID973120
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC
InChIInChI=1S/C17H17N3O2S/c1-11-5-4-8-18-16(11)20-17-19-13(10-23-17)12-6-7-14(21-2)15(9-12)22-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyQLDLWULSIMIMHS-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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Related Compounds

4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
4-[2-(Pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 434633
2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-(6-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329399
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
N-[5-pyridin-4-yl-4-(3,4,5-trimethoxyphenyl)thiazol-2-yl]acetamide
CID 9843101
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 751866
Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-phenol
CID 972804
4-[2-(Pyridin-2-ylamino)-1,3-thiazol-4-yl]phenol
CID 972900

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 973120) is 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ncccc3C)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is QLDLWULSIMIMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-11-5-4-8-18-16(11)20-17-19-13(10-23-17)12-6-7-14(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-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-(3-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-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 973120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).