N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine

C13H16N4OS — CID 144630671

IUPACN-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCC/C=C(\Cc1ncccc1OC)Nc1nncs1
InChIInChI=1S/C13H16N4OS/c1-3-5-10(16-13-17-15-9-19-13)8-11-12(18-2)6-4-7-14-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b10-5+
InChIKeyGYDJZLMNCIFBLD-BJMVGYQFSA-N
MW276.37 g/mol
LogP2.89
Rot. Bonds6

About N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine

N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 144630671) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID144630671
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCC/C=C(\Cc1ncccc1OC)Nc1nncs1
InChIInChI=1S/C13H16N4OS/c1-3-5-10(16-13-17-15-9-19-13)8-11-12(18-2)6-4-7-14-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b10-5+
InChIKeyGYDJZLMNCIFBLD-BJMVGYQFSA-N
XLogP2.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine (CID 144630671) is N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine is CC/C=C(\Cc1ncccc1OC)Nc1nncs1.
What is the InChIKey of N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GYDJZLMNCIFBLD-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-5-10(16-13-17-15-9-19-13)8-11-12(18-2)6-4-7-14-11/h4-7,9H,3,8H2,1-2H3,(H,16,17)/b10-5+.
What are the key properties of N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine?
N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 276.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-methoxy-2-pyridinyl)pent-2-en-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 144630671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).