5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine

C14H14N4S — CID 62493954

IUPAC5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(-n3ccc(C4CC4)n3)c(N)cc2s1
InChIInChI=1S/C14H14N4S/c1-8-16-12-7-13(10(15)6-14(12)19-8)18-5-4-11(17-18)9-2-3-9/h4-7,9H,2-3,15H2,1H3
InChIKeyWQTAMLUTEHVQAH-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.25
Rot. Bonds2

About 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine

5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 62493954) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID62493954
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(-n3ccc(C4CC4)n3)c(N)cc2s1
InChIInChI=1S/C14H14N4S/c1-8-16-12-7-13(10(15)6-14(12)19-8)18-5-4-11(17-18)9-2-3-9/h4-7,9H,2-3,15H2,1H3
InChIKeyWQTAMLUTEHVQAH-UHFFFAOYSA-N
XLogP3.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 62493954) is 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(-n3ccc(C4CC4)n3)c(N)cc2s1.
What is the InChIKey of 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is WQTAMLUTEHVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-8-16-12-7-13(10(15)6-14(12)19-8)18-5-4-11(17-18)9-2-3-9/h4-7,9H,2-3,15H2,1H3.
What are the key properties of 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine?
5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 270.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylpyrazol-1-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 62493954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).