2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

C14H21N5O2S — CID 20942930

IUPAC2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)c1nn2c(=O)c(C(=O)NCC)cnc2s1
InChIInChI=1S/C14H21N5O2S/c1-4-7-18(8-5-2)14-17-19-12(21)10(11(20)15-6-3)9-16-13(19)22-14/h9H,4-8H2,1-3H3,(H,15,20)
InChIKeyPSEXBMMACIURLW-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.53
Rot. Bonds7

About 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide

2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 20942930) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID20942930
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)c1nn2c(=O)c(C(=O)NCC)cnc2s1
InChIInChI=1S/C14H21N5O2S/c1-4-7-18(8-5-2)14-17-19-12(21)10(11(20)15-6-3)9-16-13(19)22-14/h9H,4-8H2,1-3H3,(H,15,20)
InChIKeyPSEXBMMACIURLW-UHFFFAOYSA-N
XLogP1.53
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide (CID 20942930) is 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is CCCN(CCC)c1nn2c(=O)c(C(=O)NCC)cnc2s1.
What is the InChIKey of 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PSEXBMMACIURLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-4-7-18(8-5-2)14-17-19-12(21)10(11(20)15-6-3)9-16-13(19)22-14/h9H,4-8H2,1-3H3,(H,15,20).
What are the key properties of 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide?
2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 20942930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).