imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole

C14H19N5OS — CID 68736027

IUPACimidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole
SMILESO=C1NCCN1.c1ccc2c(N3CCNCC3)nsc2c1
InChIInChI=1S/C11H13N3S.C3H6N2O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;6-3-4-1-2-5-3/h1-4,12H,5-8H2;1-2H2,(H2,4,5,6)
InChIKeyXZEGJKQRIJOKFV-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.01
Rot. Bonds1

About imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole

imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole (PubChem CID 68736027) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Nameimidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole
PubChem CID68736027
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Nameimidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole
SMILESO=C1NCCN1.c1ccc2c(N3CCNCC3)nsc2c1
InChIInChI=1S/C11H13N3S.C3H6N2O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;6-3-4-1-2-5-3/h1-4,12H,5-8H2;1-2H2,(H2,4,5,6)
InChIKeyXZEGJKQRIJOKFV-UHFFFAOYSA-N
XLogP1.01
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperazin-1-yl-1,2-benzothiazole;sulfuric acid;hydrate
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3-piperazin-4-ium-1-yl-1,2-benzothiazole
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5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805
1-(1,2-benzothiazol-3-yl)piperidin-4-ol
CID 66570294
1-(1,2-benzothiazol-3-yl)piperazine-2-carboxylic acid
CID 71646320
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 95891534
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 56908154
3-(4-tert-butylpiperazin-1-yl)-1,2-benzothiazole
CID 59648088
4-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 19885458
7-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314807
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 70254311

Frequently Asked Questions

What is the IUPAC name of imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole?
The IUPAC name of imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole (CID 68736027) is imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole.
What is the SMILES notation for imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole?
The canonical SMILES for imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole is O=C1NCCN1.c1ccc2c(N3CCNCC3)nsc2c1.
What is the InChIKey of imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole?
The InChIKey is XZEGJKQRIJOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S.C3H6N2O/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;6-3-4-1-2-5-3/h1-4,12H,5-8H2;1-2H2,(H2,4,5,6).
What are the key properties of imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole?
imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole has a molecular weight of 305.41 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 68736027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).