3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one

C8H8N4OS — CID 130549573

IUPAC3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2csnn2)c1=O
InChIInChI=1S/C8H8N4OS/c9-7-2-1-3-12(8(7)13)4-6-5-14-11-10-6/h1-3,5H,4,9H2
InChIKeyXIRPUBRXLGYUFY-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.33
Rot. Bonds2

About 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one

3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one (PubChem CID 130549573) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one
PubChem CID130549573
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2csnn2)c1=O
InChIInChI=1S/C8H8N4OS/c9-7-2-1-3-12(8(7)13)4-6-5-14-11-10-6/h1-3,5H,4,9H2
InChIKeyXIRPUBRXLGYUFY-UHFFFAOYSA-N
XLogP0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(thiadiazol-4-ylmethyl)pyrrol-2-yl]ethanone
CID 130549719
4-(pyrrol-1-ylmethyl)thiadiazole
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CID 165473375
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CID 165483394
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CID 65478210
3-amino-1-[(2,6-difluorophenyl)methyl]pyridin-2-one
CID 114930175
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
3-amino-1-[(3,5-difluorophenyl)methyl]pyridin-2-one
CID 105403383
3-amino-1-butylpyridin-2-one
CID 62102283
3-amino-1-[(7-hydroxy-1,3-benzothiazol-2-yl)methyl]pyridin-2-one
CID 146363840
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
3-amino-1-[(4-propan-2-ylphenyl)methyl]pyridin-2-one
CID 55035658

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one (CID 130549573) is 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one is Nc1cccn(Cc2csnn2)c1=O.
What is the InChIKey of 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one?
The InChIKey is XIRPUBRXLGYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c9-7-2-1-3-12(8(7)13)4-6-5-14-11-10-6/h1-3,5H,4,9H2.
What are the key properties of 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one?
3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one has a molecular weight of 208.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(thiadiazol-4-ylmethyl)pyridin-2-one is sourced from PubChem (CID 130549573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).