3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C11H18N4OS — CID 112696077

IUPAC3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1nsc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-9-13-11(17-14-9)12-6-5-10(16)15-7-3-4-8-15/h2-8H2,1H3,(H,12,13,14)
InChIKeyCJKCZYUYNWKTQT-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.52
Rot. Bonds5

About 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 112696077) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID112696077
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCc1nsc(NCCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-9-13-11(17-14-9)12-6-5-10(16)15-7-3-4-8-15/h2-8H2,1H3,(H,12,13,14)
InChIKeyCJKCZYUYNWKTQT-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
CID 115777368
3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 70975256
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
2-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373952
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
CID 65271224
1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
CID 97221836
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 112696077) is 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCc1nsc(NCCC(=O)N2CCCC2)n1.
What is the InChIKey of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CJKCZYUYNWKTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-9-13-11(17-14-9)12-6-5-10(16)15-7-3-4-8-15/h2-8H2,1H3,(H,12,13,14).
What are the key properties of 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 254.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 112696077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).