2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole

C18H22N4OS — CID 91244532

IUPAC2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole
SMILESCCC1=C2CN(c3nc4ccccc4s3)N=C2CCN1CCOC
InChIInChI=1S/C18H22N4OS/c1-3-16-13-12-22(18-19-15-6-4-5-7-17(15)24-18)20-14(13)8-9-21(16)10-11-23-2/h4-7H,3,8-12H2,1-2H3
InChIKeyHXYPHEDTCRJABI-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.49
Rot. Bonds5

About 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole

2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole (PubChem CID 91244532) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole
PubChem CID91244532
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole
SMILESCCC1=C2CN(c3nc4ccccc4s3)N=C2CCN1CCOC
InChIInChI=1S/C18H22N4OS/c1-3-16-13-12-22(18-19-15-6-4-5-7-17(15)24-18)20-14(13)8-9-21(16)10-11-23-2/h4-7H,3,8-12H2,1-2H3
InChIKeyHXYPHEDTCRJABI-UHFFFAOYSA-N
XLogP3.49
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-phenyl-3,4-dihydropyrazol-2-yl)-1,3-benzothiazole
CID 14737702
2-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 655073
N-(1,3-benzothiazol-2-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108805574
(3S)-2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 7722017
2-(1,3-benzothiazol-2-yl)-4-ethyl-5-(2-methoxyethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 17020021
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803
2-(1,3-benzothiazol-2-yl)-5-(2-methoxyethyl)-4-methyl-3-oxopyrazolo[4,3-c]pyridin-6-olate
CID 46924854
N-[3-(3-methoxypropyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-1,3-benzothiazol-2-amine
CID 17121816
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
1-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 90609959
7-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646330

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole (CID 91244532) is 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole is CCC1=C2CN(c3nc4ccccc4s3)N=C2CCN1CCOC.
What is the InChIKey of 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole?
The InChIKey is HXYPHEDTCRJABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-3-16-13-12-22(18-19-15-6-4-5-7-17(15)24-18)20-14(13)8-9-21(16)10-11-23-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole?
2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole has a molecular weight of 342.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-(2-methoxyethyl)-6,7-dihydro-3H-pyrazolo[4,3-c]pyridin-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 91244532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).