N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

C30H30N4O3S — CID 71293220

About N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide

N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 71293220) has the molecular formula C30H30N4O3S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 71293220
• Molecular Formula: C30H30N4O3S
• Molecular Weight: 526.66 g/mol
• Exact Mass: 526.20
• IUPAC Name: N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
• SMILES: CN(Cc1ccnc(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1
• InChI: InChI=1S/C30H30N4O3S/c1-33(20-21-13-14-31-28(17-21)34-15-5-6-16-34)29(35)27-19-32-30(38-27)36-24-10-12-26-23(18-24)9-11-25(37-26)22-7-3-2-4-8-22/h2-4,7-8,10,12-14,17-19,25H,5-6,9,11,15-16,20H2,1H3
• InChIKey: UPUITPHAGPXZHJ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 67.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.66
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 71293220) is N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is CN(Cc1ccnc(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1.

What is the InChIKey of N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UPUITPHAGPXZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3S/c1-33(20-21-13-14-31-28(17-21)34-15-5-6-16-34)29(35)27-19-32-30(38-27)36-24-10-12-26-23(18-24)9-11-25(37-26)22-7-3-2-4-8-22/h2-4,7-8,10,12-14,17-19,25H,5-6,9,11,15-16,20H2,1H3.

What are the key properties of N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?

N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 526.66 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71293220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).