4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine

C15H14N6S — CID 66768033

IUPAC4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine
SMILESc1ccc2sc(-c3cn[nH]c3NCCc3cnc[nH]3)nc2c1
InChIInChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
InChIKeySKFIGKZRFZMUKR-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.06
Rot. Bonds5

About 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine

4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine (PubChem CID 66768033) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine
PubChem CID66768033
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine
SMILESc1ccc2sc(-c3cn[nH]c3NCCc3cnc[nH]3)nc2c1
InChIInChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21)
InChIKeySKFIGKZRFZMUKR-UHFFFAOYSA-N
XLogP3.06
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine (CID 66768033) is 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine is c1ccc2sc(-c3cn[nH]c3NCCc3cnc[nH]3)nc2c1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine?
The InChIKey is SKFIGKZRFZMUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-2-4-13-12(3-1)20-15(22-13)11-8-19-21-14(11)17-6-5-10-7-16-9-18-10/h1-4,7-9H,5-6H2,(H,16,18)(H2,17,19,21).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine?
4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine has a molecular weight of 310.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 66768033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).