2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

C10H13N5OS2 — CID 62189469

IUPAC2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-2-4-11-9-7(14-15-18-9)6-17-10-12-5-3-8(16)13-10/h3,5,11H,2,4,6H2,1H3,(H,12,13,16)
InChIKeyZKDKNECTELNQGE-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.74
Rot. Bonds6

About 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 62189469) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID62189469
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C10H13N5OS2/c1-2-4-11-9-7(14-15-18-9)6-17-10-12-5-3-8(16)13-10/h3,5,11H,2,4,6H2,1H3,(H,12,13,16)
InChIKeyZKDKNECTELNQGE-UHFFFAOYSA-N
XLogP1.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 55044991
2-[(5-aminothiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62188937
2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62189468
2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62251558
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768347
3-[[5-(Methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768516
3-[[5-(Propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 63768693
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 135962106
4-amino-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 135962108
2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135962110
4-methyl-2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136197810
4-methyl-2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136197811

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 62189469) is 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is CCCNc1snnc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ZKDKNECTELNQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-2-4-11-9-7(14-15-18-9)6-17-10-12-5-3-8(16)13-10/h3,5,11H,2,4,6H2,1H3,(H,12,13,16).
What are the key properties of 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 283.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 62189469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).