4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide

C23H25N3O2S — CID 123313242

IUPAC4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide
SMILESCCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1
InChIInChI=1S/C23H25N3O2S/c1-3-21(27)24-17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyDWDNUZRJIVQVLS-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.48
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide

4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide (PubChem CID 123313242) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide
PubChem CID123313242
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide
SMILESCCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1
InChIInChI=1S/C23H25N3O2S/c1-3-21(27)24-17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27)
InChIKeyDWDNUZRJIVQVLS-UHFFFAOYSA-N
XLogP4.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-[5-[4-(1,3-benzothiazol-2-yl)phenyl]triazol-1-yl]cyclopentyl]propanamide
CID 129042001
4-[3-fluoro-4-(trifluoromethoxy)phenyl]-N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
CID 121317390
1-[4-(1,3-benzothiazol-2-yl)phenyl]ethanone
CID 11821106
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]propanamide
CID 885171
4-(1,3-benzothiazol-2-yl)benzamide
CID 28689293
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112810624
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)furan-2-carboxylate
CID 7743934
N-cyclopropyl-4-[2-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-1-(2-methoxyethylsulfonyl)-2-oxoethyl]-1,3-benzothiazol-6-yl]-N-methylbenzamide
CID 118226909
4-[6-fluoro-3-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-indol-5-yl]-N-methyl-N-[(1R,3S)-3-(propanoylamino)cyclopentyl]benzamide
CID 137001063
5-(1,3-benzoxazol-2-yl)-4-methoxy-N-methyl-N-[(3S)-3-(propanoylamino)cyclopentyl]cyclohepta-1,4,6-triene-1-carboxamide;molecular hydrogen
CID 144760307

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide (CID 123313242) is 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide is CCC(=O)NC1CCC(N(C)C(=O)c2ccc(-c3nc4ccccc4s3)cc2)C1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide?
The InChIKey is DWDNUZRJIVQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-21(27)24-17-12-13-18(14-17)26(2)23(28)16-10-8-15(9-11-16)22-25-19-6-4-5-7-20(19)29-22/h4-11,17-18H,3,12-14H2,1-2H3,(H,24,27).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide?
4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-methyl-N-[3-(propanoylamino)cyclopentyl]benzamide is sourced from PubChem (CID 123313242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).