N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine

C10H11N3S — CID 2725972

IUPACN,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H11N3S/c1-13(2)10-11-9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWJSYQWGVCFCCKI-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.27
Rot. Bonds2

About N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine

N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 2725972) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID2725972
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H11N3S/c1-13(2)10-11-9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyWJSYQWGVCFCCKI-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 2725972) is N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WJSYQWGVCFCCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-13(2)10-11-9(12-14-10)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2725972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).