N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C27H33FN6O2S2 — CID 78426435

About N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426435) has the molecular formula C27H33FN6O2S2 and a molecular weight of 556.73 g/mol. Its IUPAC name is N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 78426435
• Molecular Formula: C27H33FN6O2S2
• Molecular Weight: 556.73 g/mol
• Exact Mass: 556.21
• IUPAC Name: N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H33FN6O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(28)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-29/h5-10,17-19H,3-4,11-16,29H2,1-2H3
• InChIKey: XZKYUHRQWBSLIC-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 96.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.73
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78426435) is N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is XZKYUHRQWBSLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2S2/c1-3-23-26(32(2)27-31-24(18-37-27)20-5-8-22(28)9-6-20)34-17-21(7-10-25(34)30-23)19-11-14-33(15-12-19)38(35,36)16-4-13-29/h5-10,17-19H,3-4,11-16,29H2,1-2H3.

What are the key properties of N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 556.73 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-(3-aminopropylsulfonyl)piperidin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78426435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).