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

C14H19N5O2S2 — CID 135414576

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135414576) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• PubChem CID: 135414576
• Molecular Formula: C14H19N5O2S2
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.10
• IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
• SMILES: CCCCc1nnc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)s1
• InChI: InChI=1S/C14H19N5O2S2/c1-4-5-6-11-18-19-14(23-11)17-12(21)9(3)22-13-15-8(2)7-10(20)16-13/h7,9H,4-6H2,1-3H3,(H,15,16,20)(H,17,19,21)
• InChIKey: UAOMAHZLKFFLLZ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135414576) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is CCCCc1nnc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)s1.

What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

The InChIKey is UAOMAHZLKFFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-4-5-6-11-18-19-14(23-11)17-12(21)9(3)22-13-15-8(2)7-10(20)16-13/h7,9H,4-6H2,1-3H3,(H,15,16,20)(H,17,19,21).

What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135414576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).