4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide

C24H23N3O3S — CID 167666013

IUPAC4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)CCC4CC(O)C4)ccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-25-23(30)16-5-3-15(4-6-16)19-13-27-20-8-7-17(12-22(20)31-24(27)26-19)21(29)9-2-14-10-18(28)11-14/h3-8,12-14,18,28H,2,9-11H2,1H3,(H,25,30)
InChIKeySQNZTMFUZABWNX-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.31
Rot. Bonds6

About 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide

4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide (PubChem CID 167666013) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
PubChem CID167666013
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)CCC4CC(O)C4)ccc23)cc1
InChIInChI=1S/C24H23N3O3S/c1-25-23(30)16-5-3-15(4-6-16)19-13-27-20-8-7-17(12-22(20)31-24(27)26-19)21(29)9-2-14-10-18(28)11-14/h3-8,12-14,18,28H,2,9-11H2,1H3,(H,25,30)
InChIKeySQNZTMFUZABWNX-UHFFFAOYSA-N
XLogP4.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[3-(2,2-difluorocyclopropyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167532679
N-[(4-hydroxycyclohexyl)methyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163411
N-methyl-4-[6-(5-pyrrolidin-1-ylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167691694
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
4-[6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167684727
N-methyl-4-[6-[2-[3-(trifluoromethyl)oxetan-3-yl]acetyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]benzamide
CID 167625188
4-[6-(5-hydroxy-3-methylpentanoyl)imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide
CID 167681354
N-[(1R)-1-cyclopropylethyl]-2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 167163435
2-[4-(methylcarbamoyl)phenyl]-N-[(1-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571678
2-[4-(methylcarbamoyl)phenyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571726
6-[[[2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carbonyl]amino]methyl]-5-azaspiro[2.4]heptane-5-carboxylic acid
CID 175792731
2-[4-(methylcarbamoyl)phenyl]-N-(1-propylpiperidin-4-yl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 164571980

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide (CID 167666013) is 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2cn3c(n2)sc2cc(C(=O)CCC4CC(O)C4)ccc23)cc1.
What is the InChIKey of 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide?
The InChIKey is SQNZTMFUZABWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-25-23(30)16-5-3-15(4-6-16)19-13-27-20-8-7-17(12-22(20)31-24(27)26-19)21(29)9-2-14-10-18(28)11-14/h3-8,12-14,18,28H,2,9-11H2,1H3,(H,25,30).
What are the key properties of 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide?
4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3-hydroxycyclobutyl)propanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 167666013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).