6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C17H14N4S — CID 122184536

IUPAC6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccccc4)c3)cc2s1
InChIInChI=1S/C17H14N4S/c18-17-20-15-7-6-13(8-16(15)22-17)14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,20)
InChIKeyBYTQGWNNPKNUGP-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.79
Rot. Bonds3

About 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine

6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 122184536) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID122184536
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(Cc4ccccc4)c3)cc2s1
InChIInChI=1S/C17H14N4S/c18-17-20-15-7-6-13(8-16(15)22-17)14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,20)
InChIKeyBYTQGWNNPKNUGP-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
2-(1-benzylpyrazol-4-yl)aniline
CID 63338467
[5-(2-amino-1,3-benzothiazol-6-yl)-3-pyridinyl]methylcarbamic acid
CID 87562851
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
1-benzyl-4-[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]pyrazole
CID 47012747
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
4-[(4-phenylpyrazol-1-yl)methyl]benzenecarbothioamide
CID 62770269
4-(1-benzylpyrazol-4-yl)imidazole-1,5-diamine
CID 131010627
2-(1-benzylpyrazol-4-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 130861609
5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
CID 62885446
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]aniline
CID 63338451

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 122184536) is 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3cnn(Cc4ccccc4)c3)cc2s1.
What is the InChIKey of 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BYTQGWNNPKNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c18-17-20-15-7-6-13(8-16(15)22-17)14-9-19-21(11-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,18,20).
What are the key properties of 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 306.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).