4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine

C17H18N4O2S — CID 175923533

IUPAC4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC(C)C)ccn2)nc1
InChIInChI=1S/C17H18N4O2S/c1-10(2)23-11-6-7-19-14(8-11)16-15(21-17(18)24-16)13-5-4-12(22-3)9-20-13/h4-10H,1-3H3,(H2,18,21)
InChIKeyAHPOISRMHTWOTG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.65
Rot. Bonds5

About 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine

4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 175923533) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID175923533
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(N)sc2-c2cc(OC(C)C)ccn2)nc1
InChIInChI=1S/C17H18N4O2S/c1-10(2)23-11-6-7-19-14(8-11)16-15(21-17(18)24-16)13-5-4-12(22-3)9-20-13/h4-10H,1-3H3,(H2,18,21)
InChIKeyAHPOISRMHTWOTG-UHFFFAOYSA-N
XLogP3.65
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 175923533) is 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(N)sc2-c2cc(OC(C)C)ccn2)nc1.
What is the InChIKey of 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is AHPOISRMHTWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10(2)23-11-6-7-19-14(8-11)16-15(21-17(18)24-16)13-5-4-12(22-3)9-20-13/h4-10H,1-3H3,(H2,18,21).
What are the key properties of 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine?
4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 342.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-pyridinyl)-5-(4-propan-2-yloxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 175923533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).