N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

C14H21N5O3S — CID 20893155

IUPACN-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCOCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C14H21N5O3S/c1-4-22-7-5-6-15-11(20)9-18(3)14-17-19-12(21)8-10(2)16-13(19)23-14/h8H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyTYVQKPXUNHHRHE-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.44
Rot. Bonds8

About N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide

N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (PubChem CID 20893155) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
PubChem CID20893155
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
SMILESCCOCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1
InChIInChI=1S/C14H21N5O3S/c1-4-22-7-5-6-15-11(20)9-18(3)14-17-19-12(21)8-10(2)16-13(19)23-14/h8H,4-7,9H2,1-3H3,(H,15,20)
InChIKeyTYVQKPXUNHHRHE-UHFFFAOYSA-N
XLogP0.44
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide (CID 20893155) is N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is CCOCCCNC(=O)CN(C)c1nn2c(=O)cc(C)nc2s1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
The InChIKey is TYVQKPXUNHHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-4-22-7-5-6-15-11(20)9-18(3)14-17-19-12(21)8-10(2)16-13(19)23-14/h8H,4-7,9H2,1-3H3,(H,15,20).
What are the key properties of N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide?
N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 20893155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).