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

C13H15N5S — CID 39869478

IUPAC5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
SMILESNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)
InChIKeyYHCLQAVKRVLZRL-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.16
Rot. Bonds4

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

5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine (PubChem CID 39869478) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
PubChem CID39869478
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
SMILESNCCCc1[nH]nc(N)c1-c1nc2ccccc2s1
InChIInChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18)
InChIKeyYHCLQAVKRVLZRL-UHFFFAOYSA-N
XLogP2.16
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine (CID 39869478) is 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine is NCCCc1[nH]nc(N)c1-c1nc2ccccc2s1.
What is the InChIKey of 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is YHCLQAVKRVLZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c14-7-3-5-9-11(12(15)18-17-9)13-16-8-4-1-2-6-10(8)19-13/h1-2,4,6H,3,5,7,14H2,(H3,15,17,18).
What are the key properties of 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine?
5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 273.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 39869478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).