3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C26H28N4O3S — CID 44896763

IUPAC3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCN1CCN(c2nc3c(OC)cccc3s2)CC1
InChIInChI=1S/C26H28N4O3S/c1-32-21-8-5-9-23-24(21)28-26(34-23)30-14-12-29(13-15-30)11-10-27-25(31)20-16-18-6-3-4-7-19(18)17-22(20)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,31)
InChIKeyKBHOEUOKXNWDCV-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.02
Rot. Bonds7

About 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide

3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 44896763) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID44896763
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)NCCN1CCN(c2nc3c(OC)cccc3s2)CC1
InChIInChI=1S/C26H28N4O3S/c1-32-21-8-5-9-23-24(21)28-26(34-23)30-14-12-29(13-15-30)11-10-27-25(31)20-16-18-6-3-4-7-19(18)17-22(20)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,31)
InChIKeyKBHOEUOKXNWDCV-UHFFFAOYSA-N
XLogP4.02
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 44896729
2,5-dichloro-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,5-dimethylbenzamide
CID 44896769
N-[2-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 44896507
3-methoxy-N-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896085
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 44896417
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
CID 44896855
5-bromo-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 44896689
2,3-dimethoxy-N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44897503
2-(4-chlorophenyl)sulfanyl-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]acetamide
CID 44896781
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 41116243
3-[(4-fluorophenyl)sulfonylamino]-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 121042257

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 44896763) is 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)NCCN1CCN(c2nc3c(OC)cccc3s2)CC1.
What is the InChIKey of 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is KBHOEUOKXNWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-32-21-8-5-9-23-24(21)28-26(34-23)30-14-12-29(13-15-30)11-10-27-25(31)20-16-18-6-3-4-7-19(18)17-22(20)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,31).
What are the key properties of 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide?
3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 44896763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).