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

C14H14N6S — CID 102796709

IUPAC5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2nc3ccccc3s2)c(N)c1C#N
InChIInChI=1S/C14H14N6S/c1-3-19(2)13-9(8-15)12(16)20(18-13)14-17-10-6-4-5-7-11(10)21-14/h4-7H,3,16H2,1-2H3
InChIKeyRZUNDNRFDPKYOV-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.39
Rot. Bonds3

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

5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile (PubChem CID 102796709) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
PubChem CID102796709
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
SMILESCCN(C)c1nn(-c2nc3ccccc3s2)c(N)c1C#N
InChIInChI=1S/C14H14N6S/c1-3-19(2)13-9(8-15)12(16)20(18-13)14-17-10-6-4-5-7-11(10)21-14/h4-7H,3,16H2,1-2H3
InChIKeyRZUNDNRFDPKYOV-UHFFFAOYSA-N
XLogP2.39
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102796706
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
5-amino-1-(2,6-dimethylpyrimidin-4-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102796779
5-amino-3-[ethyl(methyl)amino]-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795574
5-amino-3-ethyl-1-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 850535
5-amino-1-(3,4-dichlorophenyl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile
CID 102795386
2-(1,3-benzothiazol-2-yl)-5-ethoxy-1,2,4-triazol-3-amine
CID 79872179
1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976966
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
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
2-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65353442
2-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 45496469

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile (CID 102796709) is 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile is CCN(C)c1nn(-c2nc3ccccc3s2)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
The InChIKey is RZUNDNRFDPKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-3-19(2)13-9(8-15)12(16)20(18-13)14-17-10-6-4-5-7-11(10)21-14/h4-7H,3,16H2,1-2H3.
What are the key properties of 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile?
5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile has a molecular weight of 298.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,3-benzothiazol-2-yl)-3-[ethyl(methyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 102796709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).