5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine

C8H11N5S — CID 19575069

IUPAC5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cn(C)nc2C)s1
InChIInChI=1S/C8H11N5S/c1-5-6(4-13(3)12-5)7-10-11-8(9-2)14-7/h4H,1-3H3,(H,9,11)
InChIKeyDQVAQAGCBGCBIT-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.29
Rot. Bonds2

About 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 19575069) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID19575069
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cn(C)nc2C)s1
InChIInChI=1S/C8H11N5S/c1-5-6(4-13(3)12-5)7-10-11-8(9-2)14-7/h4H,1-3H3,(H,9,11)
InChIKeyDQVAQAGCBGCBIT-UHFFFAOYSA-N
XLogP1.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 19575069) is 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cn(C)nc2C)s1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DQVAQAGCBGCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-6(4-13(3)12-5)7-10-11-8(9-2)14-7/h4H,1-3H3,(H,9,11).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19575069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).