1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine

C8H11N5S3 — CID 115382767

IUPAC1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
SMILESCSc1nnc(Sc2c(N)c(C)nn2C)s1
InChIInChI=1S/C8H11N5S3/c1-4-5(9)6(13(2)12-4)15-8-11-10-7(14-3)16-8/h9H2,1-3H3
InChIKeyPQAGSIUPABEHNO-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.04
Rot. Bonds3

About 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine

1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine (PubChem CID 115382767) has the molecular formula C8H11N5S3 and a molecular weight of 273.41 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
PubChem CID115382767
Molecular FormulaC8H11N5S3
Molecular Weight273.41 g/mol
Exact Mass273.02
IUPAC Name1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
SMILESCSc1nnc(Sc2c(N)c(C)nn2C)s1
InChIInChI=1S/C8H11N5S3/c1-4-5(9)6(13(2)12-4)15-8-11-10-7(14-3)16-8/h9H2,1-3H3
InChIKeyPQAGSIUPABEHNO-UHFFFAOYSA-N
XLogP2.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]butan-2-amine
CID 115384014
1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 43554535
N-[[1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 115383862
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
CID 66025282
N'-hydroxy-1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazole-4-carboximidamide
CID 76952233
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63808216
5-(3-bromophenyl)sulfanyl-1,3-dimethylpyrazol-4-amine
CID 62804408
2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382740
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382763

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine (CID 115382767) is 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine is CSc1nnc(Sc2c(N)c(C)nn2C)s1.
What is the InChIKey of 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine?
The InChIKey is PQAGSIUPABEHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S3/c1-4-5(9)6(13(2)12-4)15-8-11-10-7(14-3)16-8/h9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine?
1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine has a molecular weight of 273.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine is sourced from PubChem (CID 115382767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).