3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine

C19H22N6OS — CID 69233782

IUPAC3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1-c1cc(N2CCN(C)CC2)cnc1N
InChIInChI=1S/C19H22N6OS/c1-24-6-8-25(9-7-24)13-11-14(18(20)22-12-13)17-16(26-2)4-3-15(23-17)19-21-5-10-27-19/h3-5,10-12H,6-9H2,1-2H3,(H2,20,22)
InChIKeyYTYBBQBHJPALFU-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.61
Rot. Bonds4

About 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine

3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine (PubChem CID 69233782) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
PubChem CID69233782
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1-c1cc(N2CCN(C)CC2)cnc1N
InChIInChI=1S/C19H22N6OS/c1-24-6-8-25(9-7-24)13-11-14(18(20)22-12-13)17-16(26-2)4-3-15(23-17)19-21-5-10-27-19/h3-5,10-12H,6-9H2,1-2H3,(H2,20,22)
InChIKeyYTYBBQBHJPALFU-UHFFFAOYSA-N
XLogP2.61
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine (CID 69233782) is 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine is COc1ccc(-c2nccs2)nc1-c1cc(N2CCN(C)CC2)cnc1N.
What is the InChIKey of 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is YTYBBQBHJPALFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24-6-8-25(9-7-24)13-11-14(18(20)22-12-13)17-16(26-2)4-3-15(23-17)19-21-5-10-27-19/h3-5,10-12H,6-9H2,1-2H3,(H2,20,22).
What are the key properties of 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine?
3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 382.49 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-5-(4-methylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 69233782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).