N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide

C25H30N4O2S — CID 30637872

IUPACN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide
SMILESC[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C25H30N4O2S/c1-18(25-26-21-5-3-4-6-23(21)32-25)27(2)24(30)17-29-12-10-28(11-13-29)16-19-7-8-22-20(15-19)9-14-31-22/h3-8,15,18H,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyIKGIDVYCKCZIST-SFHVURJKSA-N
MW450.61 g/mol
LogP3.57
Rot. Bonds6

About N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 30637872) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide
PubChem CID30637872
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide
SMILESC[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C25H30N4O2S/c1-18(25-26-21-5-3-4-6-23(21)32-25)27(2)24(30)17-29-12-10-28(11-13-29)16-19-7-8-22-20(15-19)9-14-31-22/h3-8,15,18H,9-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyIKGIDVYCKCZIST-SFHVURJKSA-N
XLogP3.57
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide 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-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 8786544
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 25498305
5-(1,3-benzothiazol-2-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]pentan-1-one
CID 17455873
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17489894
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(4R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 25362399
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-methylacetamide
CID 41075544
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8968454
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(9-oxoacridin-10-yl)acetamide
CID 30135418
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 11931564
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-(3-chloro-4-methylphenyl)-N-methylpropanamide
CID 24686395
2-[(4S)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methylacetamide
CID 41013695
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetamide
CID 9127121

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide (CID 30637872) is N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide is C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is IKGIDVYCKCZIST-SFHVURJKSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-18(25-26-21-5-3-4-6-23(21)32-25)27(2)24(30)17-29-12-10-28(11-13-29)16-19-7-8-22-20(15-19)9-14-31-22/h3-8,15,18H,9-14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide?
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 450.61 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 30637872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).