N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C11H14N4S2 — CID 119043235

IUPACN-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2ncccc2C)s1
InChIInChI=1S/C11H14N4S2/c1-3-12-10-14-15-11(17-10)16-7-9-8(2)5-4-6-13-9/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyZFPYTEPLDNITMP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.97
Rot. Bonds5

About N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 119043235) has the molecular formula C11H14N4S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID119043235
Molecular FormulaC11H14N4S2
Molecular Weight266.39 g/mol
Exact Mass266.07
IUPAC NameN-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2ncccc2C)s1
InChIInChI=1S/C11H14N4S2/c1-3-12-10-14-15-11(17-10)16-7-9-8(2)5-4-6-13-9/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyZFPYTEPLDNITMP-UHFFFAOYSA-N
XLogP2.97
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 119043235) is N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2ncccc2C)s1.
What is the InChIKey of N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZFPYTEPLDNITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S2/c1-3-12-10-14-15-11(17-10)16-7-9-8(2)5-4-6-13-9/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-methyl-2-pyridinyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119043235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).