1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol

C14H15N3OS — CID 66489566

IUPAC1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2nc3ccccc3s2)c(C)c1C(C)O
InChIInChI=1S/C14H15N3OS/c1-8-13(10(3)18)9(2)17(16-8)14-15-11-6-4-5-7-12(11)19-14/h4-7,10,18H,1-3H3
InChIKeyZROFRCWQXFESTD-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.15
Rot. Bonds2

About 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol

1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 66489566) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID66489566
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(-c2nc3ccccc3s2)c(C)c1C(C)O
InChIInChI=1S/C14H15N3OS/c1-8-13(10(3)18)9(2)17(16-8)14-15-11-6-4-5-7-12(11)19-14/h4-7,10,18H,1-3H3
InChIKeyZROFRCWQXFESTD-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1-chloroethyl)-5-methylpyrazol-1-yl]-1,3-benzothiazole
CID 66489521
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
(2R,3R)-3-(1,3-benzothiazol-2-yl)butan-2-ol
CID 95030552
copper bis(2-[1-(1,3-benzothiazol-2-yl)-4-methoxycarbonyl-3-methylpyrazol-5-yl]phenolate)
CID 71722126
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
1-(1,3-benzothiazol-2-yl)-3-methylchromeno[3,4-d]pyrazol-4-one
CID 46702722
CID 58036200
CID 58036200
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
1-(1,3-benzothiazol-2-yl)-3-methyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-5H-indazol-4-one
CID 16584404
5-amino-1-(1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796706
1-[1-(1,3-benzothiazol-2-yl)-5-methylpyrazol-4-yl]-3-(dimethylamino)propan-1-one
CID 66489721
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 66489566) is 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(-c2nc3ccccc3s2)c(C)c1C(C)O.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is ZROFRCWQXFESTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8-13(10(3)18)9(2)17(16-8)14-15-11-6-4-5-7-12(11)19-14/h4-7,10,18H,1-3H3.
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol?
1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 273.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 66489566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).