5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine

C12H11N5S — CID 11043401

IUPAC5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2cc(-c3nnc(N)s3)[nH]n2)cc1
InChIInChI=1S/C12H11N5S/c1-7-2-4-8(5-3-7)9-6-10(15-14-9)11-16-17-12(13)18-11/h2-6H,1H3,(H2,13,17)(H,14,15)
InChIKeyYWFLSEKRBQXKLQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.49
Rot. Bonds2

About 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine

5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 11043401) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID11043401
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(-c2cc(-c3nnc(N)s3)[nH]n2)cc1
InChIInChI=1S/C12H11N5S/c1-7-2-4-8(5-3-7)9-6-10(15-14-9)11-16-17-12(13)18-11/h2-6H,1H3,(H2,13,17)(H,14,15)
InChIKeyYWFLSEKRBQXKLQ-UHFFFAOYSA-N
XLogP2.49
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 11043401) is 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine is Cc1ccc(-c2cc(-c3nnc(N)s3)[nH]n2)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YWFLSEKRBQXKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c1-7-2-4-8(5-3-7)9-6-10(15-14-9)11-16-17-12(13)18-11/h2-6H,1H3,(H2,13,17)(H,14,15).
What are the key properties of 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11043401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).