1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

C11H14N4OS — CID 54863795

IUPAC1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C11H14N4OS/c1-2-5-15-7-9(3-4-11(15)16)12-6-10-8-17-14-13-10/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyVLOIEVFAZMCWLL-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.72
Rot. Bonds5

About 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one

1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (PubChem CID 54863795) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
PubChem CID54863795
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
SMILESCCCn1cc(NCc2csnn2)ccc1=O
InChIInChI=1S/C11H14N4OS/c1-2-5-15-7-9(3-4-11(15)16)12-6-10-8-17-14-13-10/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyVLOIEVFAZMCWLL-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)thiadiazole-4-carboxamide
CID 47352826
N-[1-[[1-[2-(but-1-en-2-ylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]amino]-1-oxopropan-2-yl]thiadiazole-4-carboxamide
CID 167286625
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
N-propyl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664158
N-propan-2-yl-2-(thiadiazol-4-ylmethylamino)acetamide
CID 43664159
1-(2-Methoxyethyl)-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
CID 43733526
N-[3-(dimethylamino)propyl]thiadiazole-4-carboxamide
CID 60588454
N,N-diethyl-3-(thiadiazol-4-ylmethylamino)propanamide
CID 60925505
N,N-dimethyl-3-(thiadiazol-4-ylmethylamino)propanamide
CID 60925705
1-Methyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
CID 60931844
1-Ethyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one
CID 60942290
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449

Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The IUPAC name of 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one (CID 54863795) is 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one.
What is the SMILES notation for 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The canonical SMILES for 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is CCCn1cc(NCc2csnn2)ccc1=O.
What is the InChIKey of 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
The InChIKey is VLOIEVFAZMCWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-2-5-15-7-9(3-4-11(15)16)12-6-10-8-17-14-13-10/h3-4,7-8,12H,2,5-6H2,1H3.
What are the key properties of 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one?
1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one has a molecular weight of 250.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(thiadiazol-4-ylmethylamino)pyridin-2-one is sourced from PubChem (CID 54863795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).