N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C15H14N6S — CID 72545998

IUPACN'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1
InChIInChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20)
InChIKeyZOUDTZOMWZWKMO-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.38
Rot. Bonds4

About N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72545998) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72545998
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC NameN'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1
InChIInChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20)
InChIKeyZOUDTZOMWZWKMO-UHFFFAOYSA-N
XLogP2.38
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72545998) is N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1.
What is the InChIKey of N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is ZOUDTZOMWZWKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20).
What are the key properties of N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 310.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,3-benzothiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72545998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).