N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide

C21H22N4O3S — CID 46358855

IUPACN-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3nsc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C21H22N4O3S/c1-14-6-7-18-17(12-14)19(23-29-18)20(26)24-8-10-25(11-9-24)21(27)22-15-4-3-5-16(13-15)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)
InChIKeyZOCNPACRPPDMKX-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.60
Rot. Bonds3

About N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide (PubChem CID 46358855) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
PubChem CID46358855
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)c3nsc4ccc(C)cc34)CC2)c1
InChIInChI=1S/C21H22N4O3S/c1-14-6-7-18-17(12-14)19(23-29-18)20(26)24-8-10-25(11-9-24)21(27)22-15-4-3-5-16(13-15)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)
InChIKeyZOCNPACRPPDMKX-UHFFFAOYSA-N
XLogP3.60
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide
CID 46358866
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 4541596
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
CID 55629643
N-(3-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
CID 50780378
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
N-(3-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 169490453
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide (CID 46358855) is N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C(=O)c3nsc4ccc(C)cc34)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is ZOCNPACRPPDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-6-7-18-17(12-14)19(23-29-18)20(26)24-8-10-25(11-9-24)21(27)22-15-4-3-5-16(13-15)28-2/h3-7,12-13H,8-11H2,1-2H3,(H,22,27).
What are the key properties of N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 46358855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).