N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide

C22H25ClN4O3S — CID 44896855

IUPACN-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3nc4c(Cl)cccc4s3)CC2)c(OC)c1
InChIInChI=1S/C22H25ClN4O3S/c1-29-15-6-7-16(18(14-15)30-2)21(28)24-8-9-26-10-12-27(13-11-26)22-25-20-17(23)4-3-5-19(20)31-22/h3-7,14H,8-13H2,1-2H3,(H,24,28)
InChIKeyMMIKYWLZSBTFCH-UHFFFAOYSA-N
MW460.99 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide

N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 44896855) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
PubChem CID44896855
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC NameN-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(c3nc4c(Cl)cccc4s3)CC2)c(OC)c1
InChIInChI=1S/C22H25ClN4O3S/c1-29-15-6-7-16(18(14-15)30-2)21(28)24-8-9-26-10-12-27(13-11-26)22-25-20-17(23)4-3-5-19(20)31-22/h3-7,14H,8-13H2,1-2H3,(H,24,28)
InChIKeyMMIKYWLZSBTFCH-UHFFFAOYSA-N
XLogP3.52
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide
CID 44896851
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide
CID 44896355
2,4-dichloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896857
3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896763
2,5-dichloro-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
3-chloro-N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 44896845
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,5-dimethylbenzamide
CID 44896769
2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896189
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 44896729
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 44896417
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide (CID 44896855) is N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCN2CCN(c3nc4c(Cl)cccc4s3)CC2)c(OC)c1.
What is the InChIKey of N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?
The InChIKey is MMIKYWLZSBTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-29-15-6-7-16(18(14-15)30-2)21(28)24-8-9-26-10-12-27(13-11-26)22-25-20-17(23)4-3-5-19(20)31-22/h3-7,14H,8-13H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide?
N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide has a molecular weight of 460.99 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 44896855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).