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

C14H13N5S — CID 850535

IUPAC5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2nc3c(C)cccc3s2)c(N)c1C#N
InChIInChI=1S/C14H13N5S/c1-3-10-9(7-15)13(16)19(18-10)14-17-12-8(2)5-4-6-11(12)20-14/h4-6H,3,16H2,1-2H3
InChIKeyGZWLEIHVBCCYQP-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.81
Rot. Bonds2

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

5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 850535) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID850535
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
SMILESCCc1nn(-c2nc3c(C)cccc3s2)c(N)c1C#N
InChIInChI=1S/C14H13N5S/c1-3-10-9(7-15)13(16)19(18-10)14-17-12-8(2)5-4-6-11(12)20-14/h4-6H,3,16H2,1-2H3
InChIKeyGZWLEIHVBCCYQP-UHFFFAOYSA-N
XLogP2.81
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796709
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 51048509
5-amino-1-(1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796706
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethylpyrazole-4-carbonitrile
CID 985492
5-amino-1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-methoxyanilino)pyrazole-4-carbonitrile
CID 25123465
5-amino-1-phenyl-3-(sulfanylmethyl)pyrazole-4-carbonitrile
CID 138811067
2,6-bis(4-aminoanilino)-5-[[1-(1,3-benzothiazol-2-yl)-3-butyl-4-cyanopyrazol-5-yl]diazenyl]-4-methylpyridine-3-carbonitrile
CID 147265125
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
CID 171999825
2-(4-benzylpiperazin-1-yl)-4-methyl-1,3-benzothiazole
CID 90601922

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile (CID 850535) is 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile is CCc1nn(-c2nc3c(C)cccc3s2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is GZWLEIHVBCCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-3-10-9(7-15)13(16)19(18-10)14-17-12-8(2)5-4-6-11(12)20-14/h4-6H,3,16H2,1-2H3.
What are the key properties of 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile?
5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 283.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 850535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).