4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine

C14H16N4S — CID 117433991

IUPAC4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
SMILESCC(C)(C)c1nc2cc(-c3cn[nH]c3N)ccc2s1
InChIInChI=1S/C14H16N4S/c1-14(2,3)13-17-10-6-8(4-5-11(10)19-13)9-7-16-18-12(9)15/h4-7H,1-3H3,(H3,15,16,18)
InChIKeySTKXUVYGDYCVBU-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.57
Rot. Bonds1

About 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine

4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117433991) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
PubChem CID117433991
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
SMILESCC(C)(C)c1nc2cc(-c3cn[nH]c3N)ccc2s1
InChIInChI=1S/C14H16N4S/c1-14(2,3)13-17-10-6-8(4-5-11(10)19-13)9-7-16-18-12(9)15/h4-7H,1-3H3,(H3,15,16,18)
InChIKeySTKXUVYGDYCVBU-UHFFFAOYSA-N
XLogP3.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
4-(1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine
CID 117308131
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
CID 117360675
(2-tert-butyl-1,3-benzothiazol-5-yl)methanamine
CID 82286426
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117431686
2-tert-butyl-1,3-benzothiazole-5-carbonitrile
CID 117308454
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 71228887
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117472108
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
1-(2-tert-butyl-1,3-benzothiazol-5-yl)-N-methoxymethanamine
CID 117379784

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine (CID 117433991) is 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine is CC(C)(C)c1nc2cc(-c3cn[nH]c3N)ccc2s1.
What is the InChIKey of 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is STKXUVYGDYCVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-14(2,3)13-17-10-6-8(4-5-11(10)19-13)9-7-16-18-12(9)15/h4-7H,1-3H3,(H3,15,16,18).
What are the key properties of 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine?
4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 272.38 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1,3-benzothiazol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117433991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).