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

C16H17N5OS — CID 95264326

IUPAC2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H](CNc1nn2c(=O)ccnc2s1)N1CCc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-11(20-9-7-12-4-2-3-5-13(12)20)10-18-15-19-21-14(22)6-8-17-16(21)23-15/h2-6,8,11H,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyYSRNIXOLWQZUCV-NSHDSACASA-N
MW327.41 g/mol
LogP2.01
Rot. Bonds4

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

2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 95264326) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID95264326
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H](CNc1nn2c(=O)ccnc2s1)N1CCc2ccccc21
InChIInChI=1S/C16H17N5OS/c1-11(20-9-7-12-4-2-3-5-13(12)20)10-18-15-19-21-14(22)6-8-17-16(21)23-15/h2-6,8,11H,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyYSRNIXOLWQZUCV-NSHDSACASA-N
XLogP2.01
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-acetamido-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 38304559
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 47035342
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
2-(5,5-dimethylhexan-2-ylamino)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133311802
2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133439502
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32810633
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 95264326) is 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is C[C@@H](CNc1nn2c(=O)ccnc2s1)N1CCc2ccccc21.
What is the InChIKey of 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YSRNIXOLWQZUCV-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11(20-9-7-12-4-2-3-5-13(12)20)10-18-15-19-21-14(22)6-8-17-16(21)23-15/h2-6,8,11H,7,9-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 327.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 95264326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).