3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

C20H21N5O2S — CID 91822652

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 91822652) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 91822652
• Molecular Formula: C20H21N5O2S
• Molecular Weight: 395.49 g/mol
• Exact Mass: 395.14
• IUPAC Name: 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
• SMILES: COc1ccc2c(-c3csc(NC(=O)CCc4c(C)n[nH]c4C)n3)c[nH]c2c1
• InChI: InChI=1S/C20H21N5O2S/c1-11-14(12(2)25-24-11)6-7-19(26)23-20-22-18(10-28-20)16-9-21-17-8-13(27-3)4-5-15(16)17/h4-5,8-10,21H,6-7H2,1-3H3,(H,24,25)(H,22,23,26)
• InChIKey: AESJMXOAQGBDPX-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 95.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.49
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide (CID 91822652) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is COc1ccc2c(-c3csc(NC(=O)CCc4c(C)n[nH]c4C)n3)c[nH]c2c1.

What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is AESJMXOAQGBDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-11-14(12(2)25-24-11)6-7-19(26)23-20-22-18(10-28-20)16-9-21-17-8-13(27-3)4-5-15(16)17/h4-5,8-10,21H,6-7H2,1-3H3,(H,24,25)(H,22,23,26).

What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide?

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 395.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[4-(6-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 91822652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).