1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one

C9H14N4OS — CID 115777368

IUPAC1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
SMILESO=C(CCNc1ncns1)N1CCCC1
InChIInChI=1S/C9H14N4OS/c14-8(13-5-1-2-6-13)3-4-10-9-11-7-12-15-9/h7H,1-6H2,(H,10,11,12)
InChIKeyLDZSHHSGJQLCFQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.96
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one

1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one (PubChem CID 115777368) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
PubChem CID115777368
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one
SMILESO=C(CCNc1ncns1)N1CCCC1
InChIInChI=1S/C9H14N4OS/c14-8(13-5-1-2-6-13)3-4-10-9-11-7-12-15-9/h7H,1-6H2,(H,10,11,12)
InChIKeyLDZSHHSGJQLCFQ-UHFFFAOYSA-N
XLogP0.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
1-pyrrolidin-1-yl-3-(thieno[2,3-d]pyrimidin-4-ylamino)propan-1-one
CID 39948758
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
1-pyrrolidin-1-yl-3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)propan-1-one
CID 115685896
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
6-[(3-oxo-3-piperidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 112685210
3-[(2,5-dichloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411612
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one (CID 115777368) is 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one is O=C(CCNc1ncns1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one?
The InChIKey is LDZSHHSGJQLCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c14-8(13-5-1-2-6-13)3-4-10-9-11-7-12-15-9/h7H,1-6H2,(H,10,11,12).
What are the key properties of 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one?
1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one has a molecular weight of 226.30 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(1,2,4-thiadiazol-5-ylamino)propan-1-one is sourced from PubChem (CID 115777368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).