[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen

C24H24FN5O2S2 — CID 144984176

About [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen (PubChem CID 144984176) has the molecular formula C24H24FN5O2S2 and a molecular weight of 497.62 g/mol. Its IUPAC name is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen
• PubChem CID: 144984176
• Molecular Formula: C24H24FN5O2S2
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.14
• IUPAC Name: [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen
• SMILES: Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)cn3)n2)s1.[H][H]
• InChI: InChI=1S/C24H22FN5O2S2.H2/c1-14-22(34-15(2)27-14)19-13-33-24(28-19)29-21-8-5-17(11-26-21)23(31)30-9-10-32-12-20(30)16-3-6-18(25)7-4-16;/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,26,28,29);1H/t20-;/m0./s1
• InChIKey: NLRBOHNOFICRPW-BDQAORGHSA-N
• XLogP: 5.62
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen?

The IUPAC name of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen (CID 144984176) is [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen.

What is the SMILES notation for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen?

The canonical SMILES for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)cn3)n2)s1.[H][H].

What is the InChIKey of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen?

The InChIKey is NLRBOHNOFICRPW-BDQAORGHSA-N. The full InChI is InChI=1S/C24H22FN5O2S2.H2/c1-14-22(34-15(2)27-14)19-13-33-24(28-19)29-21-8-5-17(11-26-21)23(31)30-9-10-32-12-20(30)16-3-6-18(25)7-4-16;/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,26,28,29);1H/t20-;/m0./s1.

What are the key properties of [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen?

[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen has a molecular weight of 497.62 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(3R)-3-(4-fluorophenyl)morpholin-4-yl]methanone;molecular hydrogen is sourced from PubChem (CID 144984176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).