N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide

C18H19N3O2S — CID 69087387

IUPACN-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide
SMILESO=C(CCc1cn2c(n1)sc1cc(O)ccc12)NC1=CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-14-7-8-15-16(10-14)24-18-20-13(11-21(15)18)6-9-17(23)19-12-4-2-1-3-5-12/h4,7-8,10-11,22H,1-3,5-6,9H2,(H,19,23)
InChIKeyVCBRFSZASWKEIS-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.76
Rot. Bonds4

About N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide

N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide (PubChem CID 69087387) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide
PubChem CID69087387
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide
SMILESO=C(CCc1cn2c(n1)sc1cc(O)ccc12)NC1=CCCCC1
InChIInChI=1S/C18H19N3O2S/c22-14-7-8-15-16(10-14)24-18-20-13(11-21(15)18)6-9-17(23)19-12-4-2-1-3-5-12/h4,7-8,10-11,22H,1-3,5-6,9H2,(H,19,23)
InChIKeyVCBRFSZASWKEIS-UHFFFAOYSA-N
XLogP3.76
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide?
The IUPAC name of N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide (CID 69087387) is N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide is O=C(CCc1cn2c(n1)sc1cc(O)ccc12)NC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide?
The InChIKey is VCBRFSZASWKEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-14-7-8-15-16(10-14)24-18-20-13(11-21(15)18)6-9-17(23)19-12-4-2-1-3-5-12/h4,7-8,10-11,22H,1-3,5-6,9H2,(H,19,23).
What are the key properties of N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide?
N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanamide is sourced from PubChem (CID 69087387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).