5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C16H13N5S — CID 166272924

IUPAC5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cnn(-c4ccncc4)c3)nc2c1
InChIInChI=1S/C16H13N5S/c1-11-2-3-15-14(8-11)20-16(22-15)19-12-9-18-21(10-12)13-4-6-17-7-5-13/h2-10H,1H3,(H,19,20)
InChIKeyNCTDQFNPASRWFH-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.93
Rot. Bonds3

About 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine

5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 166272924) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID166272924
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cnn(-c4ccncc4)c3)nc2c1
InChIInChI=1S/C16H13N5S/c1-11-2-3-15-14(8-11)20-16(22-15)19-12-9-18-21(10-12)13-4-6-17-7-5-13/h2-10H,1H3,(H,19,20)
InChIKeyNCTDQFNPASRWFH-UHFFFAOYSA-N
XLogP3.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 166272924) is 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3cnn(-c4ccncc4)c3)nc2c1.
What is the InChIKey of 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is NCTDQFNPASRWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-11-2-3-15-14(8-11)20-16(22-15)19-12-9-18-21(10-12)13-4-6-17-7-5-13/h2-10H,1H3,(H,19,20).
What are the key properties of 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 307.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166272924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).