2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide

C12H19N5O2S — CID 22513600

IUPAC2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C12H19N5O2S/c1-3-6-13-9(18)8-16(2)11-14-15-12(20-11)17-7-4-5-10(17)19/h3-8H2,1-2H3,(H,13,18)
InChIKeyLSWOAKSUPOHZLK-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.63
Rot. Bonds6

About 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide

2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide (PubChem CID 22513600) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
PubChem CID22513600
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C12H19N5O2S/c1-3-6-13-9(18)8-16(2)11-14-15-12(20-11)17-7-4-5-10(17)19/h3-8H2,1-2H3,(H,13,18)
InChIKeyLSWOAKSUPOHZLK-UHFFFAOYSA-N
XLogP0.63
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide (CID 22513600) is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide is CCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1.
What is the InChIKey of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
The InChIKey is LSWOAKSUPOHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-6-13-9(18)8-16(2)11-14-15-12(20-11)17-7-4-5-10(17)19/h3-8H2,1-2H3,(H,13,18).
What are the key properties of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide?
2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide has a molecular weight of 297.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 22513600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).