5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine

C13H12N4S — CID 117394421

IUPAC5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3nc(C4CC4)sc3c2)[nH]n1
InChIInChI=1S/C13H12N4S/c14-12-6-10(16-17-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H3,14,16,17)
InChIKeyNSYNDOJPUBPSGS-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.15
Rot. Bonds2

About 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine

5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine (PubChem CID 117394421) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine
PubChem CID117394421
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3nc(C4CC4)sc3c2)[nH]n1
InChIInChI=1S/C13H12N4S/c14-12-6-10(16-17-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H3,14,16,17)
InChIKeyNSYNDOJPUBPSGS-UHFFFAOYSA-N
XLogP3.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
CID 117396570
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117399668
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
5-(1,2-benzothiazol-5-yl)-1H-pyrazol-3-amine
CID 117308135
5-(3-cyclopentylphenyl)-1H-pyrazol-3-amine
CID 117327434
2-piperidin-4-yl-1,3-benzothiazole-6-carbaldehyde
CID 169226523
6-methylsulfanyl-2-piperidin-4-yl-1,3-benzothiazole
CID 84639586
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
5-(3-chloro-2H-indazol-5-yl)-1H-pyrazol-3-amine
CID 117339568
4-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzothiazol-6-yl]pyrimidin-2-amine
CID 46879638

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine (CID 117394421) is 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc3nc(C4CC4)sc3c2)[nH]n1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine?
The InChIKey is NSYNDOJPUBPSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-12-6-10(16-17-12)8-3-4-9-11(5-8)18-13(15-9)7-1-2-7/h3-7H,1-2H2,(H3,14,16,17).
What are the key properties of 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine?
5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine has a molecular weight of 256.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).