2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C10H11N5O3S2 — CID 23998249

IUPAC2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Sc2nc(O)cc(=O)[nH]2)s1
InChIInChI=1S/C10H11N5O3S2/c1-4(8(18)13-10-15-14-5(2)20-10)19-9-11-6(16)3-7(17)12-9/h3-4H,1-2H3,(H,13,15,18)(H2,11,12,16,17)
InChIKeyVBKWLNFXLZOBLU-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.75
Rot. Bonds4

About 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 23998249) has the molecular formula C10H11N5O3S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID23998249
Molecular FormulaC10H11N5O3S2
Molecular Weight313.36 g/mol
Exact Mass313.03
IUPAC Name2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(C)Sc2nc(O)cc(=O)[nH]2)s1
InChIInChI=1S/C10H11N5O3S2/c1-4(8(18)13-10-15-14-5(2)20-10)19-9-11-6(16)3-7(17)12-9/h3-4H,1-2H3,(H,13,15,18)(H2,11,12,16,17)
InChIKeyVBKWLNFXLZOBLU-UHFFFAOYSA-N
XLogP0.75
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 23998249) is 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(C)Sc2nc(O)cc(=O)[nH]2)s1.
What is the InChIKey of 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is VBKWLNFXLZOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S2/c1-4(8(18)13-10-15-14-5(2)20-10)19-9-11-6(16)3-7(17)12-9/h3-4H,1-2H3,(H,13,15,18)(H2,11,12,16,17).
What are the key properties of 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 23998249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).