N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide

C25H27N5O3S2 — CID 20635500

About N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide

N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide (PubChem CID 20635500) has the molecular formula C25H27N5O3S2 and a molecular weight of 509.66 g/mol. Its IUPAC name is N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide.

Molecular Properties

• Compound Name: N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
• PubChem CID: 20635500
• Molecular Formula: C25H27N5O3S2
• Molecular Weight: 509.66 g/mol
• Exact Mass: 509.16
• IUPAC Name: N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
• SMILES: CC(=O)N1CCN(C(=O)c2ccc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc2)CC1
• InChI: InChI=1S/C25H27N5O3S2/c1-17(31)29-12-14-30(15-13-29)24(33)19-6-10-21(11-7-19)34-22-16-26-25(35-22)27-23(32)18-4-8-20(9-5-18)28(2)3/h4-11,16H,12-15H2,1-3H3,(H,26,27,32)
• InChIKey: UYZGQJGURFCGRK-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.66
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?

The IUPAC name of N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide (CID 20635500) is N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide.

What is the SMILES notation for N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?

The canonical SMILES for N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide is CC(=O)N1CCN(C(=O)c2ccc(Sc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc2)CC1.

What is the InChIKey of N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?

The InChIKey is UYZGQJGURFCGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S2/c1-17(31)29-12-14-30(15-13-29)24(33)19-6-10-21(11-7-19)34-22-16-26-25(35-22)27-23(32)18-4-8-20(9-5-18)28(2)3/h4-11,16H,12-15H2,1-3H3,(H,26,27,32).

What are the key properties of N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide?

N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide has a molecular weight of 509.66 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(4-acetylpiperazine-1-carbonyl)phenyl]sulfanyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 20635500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).