N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C28H31N3O2S — CID 67395767

About N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67395767) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 67395767
• Molecular Formula: C28H31N3O2S
• Molecular Weight: 473.64 g/mol
• Exact Mass: 473.21
• IUPAC Name: N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nc(C)sc3-c3ccc(C)c(C)c3)c2c1
• InChI: InChI=1S/C28H31N3O2S/c1-17-5-8-21(13-18(17)2)27-26(30-19(3)34-27)28(32)31(16-20-6-7-20)12-11-22-15-29-25-10-9-23(33-4)14-24(22)25/h5,8-10,13-15,20,29H,6-7,11-12,16H2,1-4H3
• InChIKey: MFMGMZQJAFXDMF-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.64
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 67395767) is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc2[nH]cc(CCN(CC3CC3)C(=O)c3nc(C)sc3-c3ccc(C)c(C)c3)c2c1.

What is the InChIKey of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is MFMGMZQJAFXDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2S/c1-17-5-8-21(13-18(17)2)27-26(30-19(3)34-27)28(32)31(16-20-6-7-20)12-11-22-15-29-25-10-9-23(33-4)14-24(22)25/h5,8-10,13-15,20,29H,6-7,11-12,16H2,1-4H3.

What are the key properties of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67395767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).