N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

C27H30N4O3S — CID 11386306

IUPACN-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)C3CCCc4sc(NC(=O)c5ccccc5)nc43)CC2C)cc1
InChIInChI=1S/C27H30N4O3S/c1-18-17-30(15-16-31(18)20-11-13-21(34-2)14-12-20)26(33)22-9-6-10-23-24(22)28-27(35-23)29-25(32)19-7-4-3-5-8-19/h3-5,7-8,11-14,18,22H,6,9-10,15-17H2,1-2H3,(H,28,29,32)
InChIKeyIAPOCOHMKVNMBC-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.56
Rot. Bonds5

About N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide

N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 11386306) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
PubChem CID11386306
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(N2CCN(C(=O)C3CCCc4sc(NC(=O)c5ccccc5)nc43)CC2C)cc1
InChIInChI=1S/C27H30N4O3S/c1-18-17-30(15-16-31(18)20-11-13-21(34-2)14-12-20)26(33)22-9-6-10-23-24(22)28-27(35-23)29-25(32)19-7-4-3-5-8-19/h3-5,7-8,11-14,18,22H,6,9-10,15-17H2,1-2H3,(H,28,29,32)
InChIKeyIAPOCOHMKVNMBC-UHFFFAOYSA-N
XLogP4.56
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide 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

N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945534
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945530
4-methoxy-N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945669
4-methoxy-N-[(4R)-4-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 40926677
4-methoxy-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945668
1-[2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carbonyl]piperidine-4-carboxamide
CID 16945671
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methoxybenzamide
CID 16945586
methyl 1-(2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carbonyl)piperidine-4-carboxylate
CID 16947024
N-benzyl-2-[(4-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CID 16945565
N-[4-(3,5-dimethylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945692
4-chloro-N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945509
N-[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 16945699

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 11386306) is N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is COc1ccc(N2CCN(C(=O)C3CCCc4sc(NC(=O)c5ccccc5)nc43)CC2C)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is IAPOCOHMKVNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-18-17-30(15-16-31(18)20-11-13-21(34-2)14-12-20)26(33)22-9-6-10-23-24(22)28-27(35-23)29-25(32)19-7-4-3-5-8-19/h3-5,7-8,11-14,18,22H,6,9-10,15-17H2,1-2H3,(H,28,29,32).
What are the key properties of N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 490.63 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyphenyl)-3-methylpiperazine-1-carbonyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 11386306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).