3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride

C17H20Cl2N4OS — CID 140526355

IUPAC3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(C(C)C)cn1.Cl.Cl
InChIInChI=1S/C17H18N4OS.2ClH/c1-11(2)12-4-7-15(19-10-12)21-16-14(22-3)6-5-13(20-16)17-18-8-9-23-17;;/h4-11H,1-3H3,(H,19,20,21);2*1H
InChIKeyUCSKFHLKDVJHEE-UHFFFAOYSA-N
MW399.35 g/mol
LogP5.32
Rot. Bonds5

About 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride

3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride (PubChem CID 140526355) has the molecular formula C17H20Cl2N4OS and a molecular weight of 399.35 g/mol. Its IUPAC name is 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
PubChem CID140526355
Molecular FormulaC17H20Cl2N4OS
Molecular Weight399.35 g/mol
Exact Mass398.07
IUPAC Name3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(C(C)C)cn1.Cl.Cl
InChIInChI=1S/C17H18N4OS.2ClH/c1-11(2)12-4-7-15(19-10-12)21-16-14(22-3)6-5-13(20-16)17-18-8-9-23-17;;/h4-11H,1-3H3,(H,19,20,21);2*1H
InChIKeyUCSKFHLKDVJHEE-UHFFFAOYSA-N
XLogP5.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.35
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?
The IUPAC name of 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride (CID 140526355) is 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride is COc1ccc(-c2nccs2)nc1Nc1ccc(C(C)C)cn1.Cl.Cl.
What is the InChIKey of 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?
The InChIKey is UCSKFHLKDVJHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS.2ClH/c1-11(2)12-4-7-15(19-10-12)21-16-14(22-3)6-5-13(20-16)17-18-8-9-23-17;;/h4-11H,1-3H3,(H,19,20,21);2*1H.
What are the key properties of 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?
3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride has a molecular weight of 399.35 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-propan-2-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 140526355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).