N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide

C25H25N5O5S2 — CID 154667674

About N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide

N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide (PubChem CID 154667674) has the molecular formula C25H25N5O5S2 and a molecular weight of 539.64 g/mol. Its IUPAC name is N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide
• PubChem CID: 154667674
• Molecular Formula: C25H25N5O5S2
• Molecular Weight: 539.64 g/mol
• Exact Mass: 539.13
• IUPAC Name: N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide
• SMILES: COC[C@@H](NC(=O)c1ccn(S(C)=O)c1)C(=O)Nc1nc(-c2cccc(-c3ccnc(OC)c3)c2)cs1
• InChI: InChI=1S/C25H25N5O5S2/c1-34-14-20(27-23(31)19-8-10-30(13-19)37(3)33)24(32)29-25-28-21(15-36-25)18-6-4-5-16(11-18)17-7-9-26-22(12-17)35-2/h4-13,15,20H,14H2,1-3H3,(H,27,31)(H,28,29,32)/t20-,37?/m1/s1
• InChIKey: UKOFHFUAAUYANC-MLZFVZNWSA-N
• XLogP: 3.21
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.64
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide?

The IUPAC name of N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide (CID 154667674) is N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide.

What is the SMILES notation for N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide?

The canonical SMILES for N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide is COC[C@@H](NC(=O)c1ccn(S(C)=O)c1)C(=O)Nc1nc(-c2cccc(-c3ccnc(OC)c3)c2)cs1.

What is the InChIKey of N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide?

The InChIKey is UKOFHFUAAUYANC-MLZFVZNWSA-N. The full InChI is InChI=1S/C25H25N5O5S2/c1-34-14-20(27-23(31)19-8-10-30(13-19)37(3)33)24(32)29-25-28-21(15-36-25)18-6-4-5-16(11-18)17-7-9-26-22(12-17)35-2/h4-13,15,20H,14H2,1-3H3,(H,27,31)(H,28,29,32)/t20-,37?/m1/s1.

What are the key properties of N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide?

N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-3-methoxy-1-[[4-[3-(2-methoxy-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-1-methylsulfinylpyrrole-3-carboxamide is sourced from PubChem (CID 154667674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).