[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C19H25N5O2S — CID 47053063

About [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 47053063) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 47053063
• Molecular Formula: C19H25N5O2S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.17
• IUPAC Name: [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
• SMILES: Cc1nc(CN2CCN(C(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cs1
• InChI: InChI=1S/C19H25N5O2S/c1-14-21-16(13-27-14)12-22-6-8-24(9-7-22)18(25)15-10-17(20-11-15)19(26)23-4-2-3-5-23/h10-11,13,20H,2-9,12H2,1H3
• InChIKey: CSHDIEGKVCHIEQ-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 72.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 47053063) is [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is Cc1nc(CN2CCN(C(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cs1.

What is the InChIKey of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is CSHDIEGKVCHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14-21-16(13-27-14)12-22-6-8-24(9-7-22)18(25)15-10-17(20-11-15)19(26)23-4-2-3-5-23/h10-11,13,20H,2-9,12H2,1H3.

What are the key properties of [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?

[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 387.51 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 47053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).