2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C15H15N5OS — CID 133292269

IUPAC2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NC3CCN(c4ccccc4)C3)nn12
InChIInChI=1S/C15H15N5OS/c21-13-6-8-16-15-20(13)18-14(22-15)17-11-7-9-19(10-11)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,17,18)
InChIKeyWSXAMPIRSSMUSJ-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.84
Rot. Bonds3

About 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133292269) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133292269
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NC3CCN(c4ccccc4)C3)nn12
InChIInChI=1S/C15H15N5OS/c21-13-6-8-16-15-20(13)18-14(22-15)17-11-7-9-19(10-11)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,17,18)
InChIKeyWSXAMPIRSSMUSJ-UHFFFAOYSA-N
XLogP1.84
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133357115
2-(1-cyclobutylethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133417784
N-(1-phenylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 113226644
2-[3-[(pyridin-2-ylamino)methyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133280258
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 133292361
3-[6-[[(3R)-1-phenylpyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid;hydrochloride
CID 68962447
(E)-3-[6-[[(3R)-1-phenylpyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid;hydrochloride
CID 68962444
2-[(3-methyl-3-phenylbutan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133349957
propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 133470577
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
2-(2-hydroxyethylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 131160530

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133292269) is 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(NC3CCN(c4ccccc4)C3)nn12.
What is the InChIKey of 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WSXAMPIRSSMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c21-13-6-8-16-15-20(13)18-14(22-15)17-11-7-9-19(10-11)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,17,18).
What are the key properties of 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 313.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrolidin-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133292269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).