(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

C19H22N4S — CID 143927839

IUPAC(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESC/C=C/C=C/CC.CNc1nc2ccc(-c3ccncc3)nc2s1
InChIInChI=1S/C12H10N4S.C7H12/c1-13-12-16-10-3-2-9(15-11(10)17-12)8-4-6-14-7-5-8;1-3-5-7-6-4-2/h2-7H,1H3,(H,13,16);3,5-7H,4H2,1-2H3/b;5-3+,7-6+
InChIKeyGAYRWJHPTBQEEM-CMNPIJCXSA-N
MW338.48 g/mol
LogP5.32
Rot. Bonds4

About (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine

(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 143927839) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound Name(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID143927839
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESC/C=C/C=C/CC.CNc1nc2ccc(-c3ccncc3)nc2s1
InChIInChI=1S/C12H10N4S.C7H12/c1-13-12-16-10-3-2-9(15-11(10)17-12)8-4-6-14-7-5-8;1-3-5-7-6-4-2/h2-7H,1H3,(H,13,16);3,5-7H,4H2,1-2H3/b;5-3+,7-6+
InChIKeyGAYRWJHPTBQEEM-CMNPIJCXSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 143927839) is (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is C/C=C/C=C/CC.CNc1nc2ccc(-c3ccncc3)nc2s1.
What is the InChIKey of (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is GAYRWJHPTBQEEM-CMNPIJCXSA-N. The full InChI is InChI=1S/C12H10N4S.C7H12/c1-13-12-16-10-3-2-9(15-11(10)17-12)8-4-6-14-7-5-8;1-3-5-7-6-4-2/h2-7H,1H3,(H,13,16);3,5-7H,4H2,1-2H3/b;5-3+,7-6+.
What are the key properties of (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine?
(2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 338.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hepta-2,4-diene;N-methyl-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 143927839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).