2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide

C21H26N4O2S — CID 75463348

IUPAC2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(CCCN(C)C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-24(2)21(26)17-15-28-20(22-17)19-14-16-6-3-4-7-18(16)27-19/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyDXJFAZNVUQOCMZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.27
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide

2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 75463348) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID75463348
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(CCCN(C)C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1
InChIInChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-24(2)21(26)17-15-28-20(22-17)19-14-16-6-3-4-7-18(16)27-19/h3-4,6-7,14-15H,5,8-13H2,1-2H3
InChIKeyDXJFAZNVUQOCMZ-UHFFFAOYSA-N
XLogP3.27
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 2484138
CID 2484138
CID 155548816
CID 155548816
CID 25095213
CID 25095213
CID 44144370
CID 44144370
CID 2104690
CID 2104690
CID 2470878
CID 2470878
CID 46942964
CID 46942964
CID 46943021
CID 46943021
CID 72060238
CID 72060238
CID 135415418
CID 135415418
CID 166626633
CID 166626633
CID 166630923
CID 166630923

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide (CID 75463348) is 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide is CN1CCN(CCCN(C)C(=O)c2csc(-c3cc4ccccc4o3)n2)CC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DXJFAZNVUQOCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-23-10-12-25(13-11-23)9-5-8-24(2)21(26)17-15-28-20(22-17)19-14-16-6-3-4-7-18(16)27-19/h3-4,6-7,14-15H,5,8-13H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide?
2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75463348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).