N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine

C24H29N9OS — CID 138547474

About N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine

N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine (PubChem CID 138547474) has the molecular formula C24H29N9OS and a molecular weight of 491.63 g/mol. Its IUPAC name is N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
• PubChem CID: 138547474
• Molecular Formula: C24H29N9OS
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.22
• IUPAC Name: N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
• SMILES: C=C(Nc1csc(C2N=CNN2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(OC)CC2)cn1
• InChI: InChI=1S/C24H29N9OS/c1-15(29-22-12-35-24(30-22)23-26-13-28-31-23)18-9-20(33-11-19(27-14-33)16-3-4-16)21(10-25-18)32-7-5-17(34-2)6-8-32/h9-14,16-17,23,29,31H,1,3-8H2,2H3,(H,26,28)
• InChIKey: JWVLQLXNXVUBOS-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 104.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine?

The IUPAC name of N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine (CID 138547474) is N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine.

What is the SMILES notation for N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine?

The canonical SMILES for N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine is C=C(Nc1csc(C2N=CNN2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(OC)CC2)cn1.

What is the InChIKey of N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine?

The InChIKey is JWVLQLXNXVUBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9OS/c1-15(29-22-12-35-24(30-22)23-26-13-28-31-23)18-9-20(33-11-19(27-14-33)16-3-4-16)21(10-25-18)32-7-5-17(34-2)6-8-32/h9-14,16-17,23,29,31H,1,3-8H2,2H3,(H,26,28).

What are the key properties of N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine?

N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine has a molecular weight of 491.63 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(4-cyclopropylimidazol-1-yl)-5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethenyl]-2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 138547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).