5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile

C11H6ClN5S — CID 51048509

IUPAC5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nc3c(Cl)cccc3s2)c1N
InChIInChI=1S/C11H6ClN5S/c12-7-2-1-3-8-9(7)16-11(18-8)17-10(14)6(4-13)5-15-17/h1-3,5H,14H2
InChIKeyJRXMXYJXHOAASU-UHFFFAOYSA-N
MW275.72 g/mol
LogP2.59
Rot. Bonds1

About 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile

5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 51048509) has the molecular formula C11H6ClN5S and a molecular weight of 275.72 g/mol. Its IUPAC name is 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID51048509
Molecular FormulaC11H6ClN5S
Molecular Weight275.72 g/mol
Exact Mass275.00
IUPAC Name5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2nc3c(Cl)cccc3s2)c1N
InChIInChI=1S/C11H6ClN5S/c12-7-2-1-3-8-9(7)16-11(18-8)17-10(14)6(4-13)5-15-17/h1-3,5H,14H2
InChIKeyJRXMXYJXHOAASU-UHFFFAOYSA-N
XLogP2.59
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyrazole-4-carbonitrile
CID 2086960
5-amino-1-(6-propoxy-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 82192648
5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 850535
5-amino-1-(4-bromo-2,6-dichlorophenyl)pyrazole-4-carbonitrile
CID 70550152
2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167648
5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
CID 57423269
4-chloro-2-imidazol-1-yl-1,3-benzothiazole
CID 141304717
5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
CID 122131474
5-amino-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 15698846
1-(4-chloro-1,3-benzothiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168502569
4-chloro-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
CID 154582807
5-amino-1-(2-chloro-3-cyano-4-methylphenyl)pyrazole-4-carbonitrile
CID 12952982

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile (CID 51048509) is 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2nc3c(Cl)cccc3s2)c1N.
What is the InChIKey of 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is JRXMXYJXHOAASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN5S/c12-7-2-1-3-8-9(7)16-11(18-8)17-10(14)6(4-13)5-15-17/h1-3,5H,14H2.
What are the key properties of 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 275.72 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 51048509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).