N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C13H17N5O2S — CID 136662021

IUPACN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H17N5O2S/c1-3-4-10-12(21-18-17-10)13(20)14-6-5-9-7-11(19)16-8(2)15-9/h7H,3-6H2,1-2H3,(H,14,20)(H,15,16,19)
InChIKeyPGZAPHOEUIWVKB-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 136662021) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID136662021
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H17N5O2S/c1-3-4-10-12(21-18-17-10)13(20)14-6-5-9-7-11(19)16-8(2)15-9/h7H,3-6H2,1-2H3,(H,14,20)(H,15,16,19)
InChIKeyPGZAPHOEUIWVKB-UHFFFAOYSA-N
XLogP0.85
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 136662021) is N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCc1cc(=O)[nH]c(C)n1.
What is the InChIKey of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is PGZAPHOEUIWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-4-10-12(21-18-17-10)13(20)14-6-5-9-7-11(19)16-8(2)15-9/h7H,3-6H2,1-2H3,(H,14,20)(H,15,16,19).
What are the key properties of N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 136662021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).