5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

C10H12N4S2 — CID 3744110

IUPAC5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ccc(Sc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S2/c1-14(2)7-3-5-8(6-4-7)15-10-13-12-9(11)16-10/h3-6H,1-2H3,(H2,11,12)
InChIKeyLASANOMUVDSNPY-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.34
Rot. Bonds3

About 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 3744110) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID3744110
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1ccc(Sc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S2/c1-14(2)7-3-5-8(6-4-7)15-10-13-12-9(11)16-10/h3-6H,1-2H3,(H2,11,12)
InChIKeyLASANOMUVDSNPY-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine (CID 3744110) is 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine is CN(C)c1ccc(Sc2nnc(N)s2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LASANOMUVDSNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-14(2)7-3-5-8(6-4-7)15-10-13-12-9(11)16-10/h3-6H,1-2H3,(H2,11,12).
What are the key properties of 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine?
5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 252.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3744110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).