6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine

C14H14N4S — CID 122184535

IUPAC6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(CC4CC4)c3)cc2s1
InChIInChI=1S/C14H14N4S/c15-14-17-12-4-3-10(5-13(12)19-14)11-6-16-18(8-11)7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,15,17)
InChIKeySRNMYAZHFYKZCA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.15
Rot. Bonds3

About 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine

6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine (PubChem CID 122184535) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine
PubChem CID122184535
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(CC4CC4)c3)cc2s1
InChIInChI=1S/C14H14N4S/c15-14-17-12-4-3-10(5-13(12)19-14)11-6-16-18(8-11)7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,15,17)
InChIKeySRNMYAZHFYKZCA-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
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-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine (CID 122184535) is 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3cnn(CC4CC4)c3)cc2s1.
What is the InChIKey of 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine?
The InChIKey is SRNMYAZHFYKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-14-17-12-4-3-10(5-13(12)19-14)11-6-16-18(8-11)7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H2,15,17).
What are the key properties of 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine?
6-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine has a molecular weight of 270.36 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-(cyclopropylmethyl)pyrazol-4-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).