4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide

C19H21N3O2S2 — CID 112838931

About 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide

4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide (PubChem CID 112838931) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
• PubChem CID: 112838931
• Molecular Formula: C19H21N3O2S2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.11
• IUPAC Name: 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide
• SMILES: CCCc1c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)[nH]c(C)c1C(C)=O
• InChI: InChI=1S/C19H21N3O2S2/c1-5-6-13-16(12(4)23)11(3)20-17(13)18(24)22-19-21-14(9-25-19)15-8-7-10(2)26-15/h7-9,20H,5-6H2,1-4H3,(H,21,22,24)
• InChIKey: HYXCPBFJCUXXMY-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 74.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide (CID 112838931) is 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)Nc2nc(-c3ccc(C)s3)cs2)[nH]c(C)c1C(C)=O.

What is the InChIKey of 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide?

The InChIKey is HYXCPBFJCUXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-5-6-13-16(12(4)23)11(3)20-17(13)18(24)22-19-21-14(9-25-19)15-8-7-10(2)26-15/h7-9,20H,5-6H2,1-4H3,(H,21,22,24).

What are the key properties of 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide?

4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-3-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 112838931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).