6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C13H14N4S — CID 122184532

IUPAC6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCCCn1cc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C13H14N4S/c1-2-5-17-8-10(7-15-17)9-3-4-11-12(6-9)18-13(14)16-11/h3-4,6-8H,2,5H2,1H3,(H2,14,16)
InChIKeyRLGMWPYMTNPSRN-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.15
Rot. Bonds3

About 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine

6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 122184532) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID122184532
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCCCn1cc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C13H14N4S/c1-2-5-17-8-10(7-15-17)9-3-4-11-12(6-9)18-13(14)16-11/h3-4,6-8H,2,5H2,1H3,(H2,14,16)
InChIKeyRLGMWPYMTNPSRN-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 122184532) is 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine is CCCn1cc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is RLGMWPYMTNPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-5-17-8-10(7-15-17)9-3-4-11-12(6-9)18-13(14)16-11/h3-4,6-8H,2,5H2,1H3,(H2,14,16).
What are the key properties of 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 258.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-propylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).