4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine

C17H17N3O3S — CID 51002743

IUPAC4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc1
InChIInChI=1S/C17H17N3O3S/c1-21-12-5-7-16(18-9-12)20-17-19-13(10-24-17)11-4-6-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRWJJZMOTGXDIJV-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.97
Rot. Bonds6

About 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 51002743) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID51002743
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc1
InChIInChI=1S/C17H17N3O3S/c1-21-12-5-7-16(18-9-12)20-17-19-13(10-24-17)11-4-6-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,19,20)
InChIKeyRWJJZMOTGXDIJV-UHFFFAOYSA-N
XLogP3.97
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[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
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
4-[2-(4-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,2-diol
CID 751866
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
N-(3-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329397

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 51002743) is 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(OC)c(OC)c3)cs2)nc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is RWJJZMOTGXDIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-21-12-5-7-16(18-9-12)20-17-19-13(10-24-17)11-4-6-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 343.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-(5-methoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 51002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).