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

C20H24N6OS — CID 69373662

IUPAC3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCN(C)CC2)cn1
InChIInChI=1S/C20H24N6OS/c1-25-9-3-10-26(12-11-25)15-4-7-18(22-14-15)24-19-17(27-2)6-5-16(23-19)20-21-8-13-28-20/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,23,24)
InChIKeyADBAZMMBXPGJFS-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.49
Rot. Bonds5

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

3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 69373662) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID69373662
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCN(C)CC2)cn1
InChIInChI=1S/C20H24N6OS/c1-25-9-3-10-26(12-11-25)15-4-7-18(22-14-15)24-19-17(27-2)6-5-16(23-19)20-21-8-13-28-20/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,23,24)
InChIKeyADBAZMMBXPGJFS-UHFFFAOYSA-N
XLogP3.49
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine (CID 69373662) is 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine is COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCN(C)CC2)cn1.
What is the InChIKey of 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is ADBAZMMBXPGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-25-9-3-10-26(12-11-25)15-4-7-18(22-14-15)24-19-17(27-2)6-5-16(23-19)20-21-8-13-28-20/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,23,24).
What are the key properties of 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine?
3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 396.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 69373662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).