2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C24H32N4O2S — CID 53188205

IUPAC2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1
InChIInChI=1S/C24H32N4O2S/c1-4-22(29)27-11-13-28(14-12-27)24-26-20-10-7-18(15-21(20)31-24)23(30)25-19-8-5-17(6-9-19)16(2)3/h5-6,8-9,16,18H,4,7,10-15H2,1-3H3,(H,25,30)
InChIKeyNWXSYGSNHQWYRT-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.07
Rot. Bonds5

About 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 53188205) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID53188205
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1
InChIInChI=1S/C24H32N4O2S/c1-4-22(29)27-11-13-28(14-12-27)24-26-20-10-7-18(15-21(20)31-24)23(30)25-19-8-5-17(6-9-19)16(2)3/h5-6,8-9,16,18H,4,7,10-15H2,1-3H3,(H,25,30)
InChIKeyNWXSYGSNHQWYRT-UHFFFAOYSA-N
XLogP4.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 53188205) is 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CCC(=O)N1CCN(c2nc3c(s2)CC(C(=O)Nc2ccc(C(C)C)cc2)CC3)CC1.
What is the InChIKey of 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is NWXSYGSNHQWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-4-22(29)27-11-13-28(14-12-27)24-26-20-10-7-18(15-21(20)31-24)23(30)25-19-8-5-17(6-9-19)16(2)3/h5-6,8-9,16,18H,4,7,10-15H2,1-3H3,(H,25,30).
What are the key properties of 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 53188205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).