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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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
ethane;2-ethyl-3-methoxypyridine
CID 144504427
3-methoxy-2-octylpyridine
CID 102048148
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129136045
1-(3-methoxy-2-pyridinyl)-N,N-dimethylmethanamine
CID 130666799
2-[[1-(2-methoxyphenoxy)ethylamino]methyl]pyridin-3-ol;dihydrochloride
CID 21482241
N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648720
2-(2-prop-2-enylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1407102
N-(4-methoxyphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 9457748
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770

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).