1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol

C13H14N4OS — CID 107804842

IUPAC1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc2ncsc2c1)Cn1cccn1
InChIInChI=1S/C13H14N4OS/c18-11(8-17-5-1-4-16-17)7-14-10-2-3-12-13(6-10)19-9-15-12/h1-6,9,11,14,18H,7-8H2
InChIKeyFDZJCPZHPVBOQJ-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.97
Rot. Bonds5

About 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol

1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 107804842) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID107804842
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESOC(CNc1ccc2ncsc2c1)Cn1cccn1
InChIInChI=1S/C13H14N4OS/c18-11(8-17-5-1-4-16-17)7-14-10-2-3-12-13(6-10)19-9-15-12/h1-6,9,11,14,18H,7-8H2
InChIKeyFDZJCPZHPVBOQJ-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
1-(3,4-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60897345
1-(4-bromo-3-methoxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 82868105
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
1-[3-(dimethylamino)-4-methylanilino]-3-pyrazol-1-ylpropan-2-ol
CID 115378206
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107804841
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
1-(3-butan-2-yloxyanilino)-3-pyrazol-1-ylpropan-2-ol
CID 62329267
2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
CID 107804707
N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 103756695
1-(5-bromo-2-chloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 55132052
1-(3-bromo-2-methylanilino)-3-pyrazol-1-ylpropan-2-ol
CID 107633847

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol (CID 107804842) is 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol is OC(CNc1ccc2ncsc2c1)Cn1cccn1.
What is the InChIKey of 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is FDZJCPZHPVBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-11(8-17-5-1-4-16-17)7-14-10-2-3-12-13(6-10)19-9-15-12/h1-6,9,11,14,18H,7-8H2.
What are the key properties of 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol?
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 274.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 107804842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).