1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine

C7H9N5S2 — CID 43554535

IUPAC1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
SMILESCc1nn(C)c(Sc2nncs2)c1N
InChIInChI=1S/C7H9N5S2/c1-4-5(8)6(12(2)11-4)14-7-10-9-3-13-7/h3H,8H2,1-2H3
InChIKeyNUFCDJWGVRNAEF-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.31
Rot. Bonds2

About 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine

1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine (PubChem CID 43554535) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
PubChem CID43554535
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
SMILESCc1nn(C)c(Sc2nncs2)c1N
InChIInChI=1S/C7H9N5S2/c1-4-5(8)6(12(2)11-4)14-7-10-9-3-13-7/h3H,8H2,1-2H3
InChIKeyNUFCDJWGVRNAEF-UHFFFAOYSA-N
XLogP1.31
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-3-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 66012501
1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-amine
CID 115382767
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
1,3-dimethyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 115937699
5-(3-bromophenyl)sulfanyl-1,3-dimethylpyrazol-4-amine
CID 62804408
[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanamine
CID 63756336
2-fluoro-6-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 60789217
5-cyclopentylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 63114516
3,5-dichloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 106891300
3-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-propan-2-ylpyrazol-4-amine
CID 66025282
1,3-dimethyl-6-phenyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 60549386

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine (CID 43554535) is 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine is Cc1nn(C)c(Sc2nncs2)c1N.
What is the InChIKey of 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
The InChIKey is NUFCDJWGVRNAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-4-5(8)6(12(2)11-4)14-7-10-9-3-13-7/h3H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine?
1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine has a molecular weight of 227.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine is sourced from PubChem (CID 43554535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).