6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

C17H19ClN4O2S — CID 120749719

IUPAC6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.N[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N4O2S.ClH/c18-14-10-20(9-13(14)11-4-2-1-3-5-11)15(22)12-8-19-17-21(16(12)23)6-7-24-17;/h1-5,8,13-14H,6-7,9-10,18H2;1H/t13-,14+;/m0./s1
InChIKeyYZSWAIBOKIVMKO-LMRHVHIWSA-N
MW378.89 g/mol
LogP1.34
Rot. Bonds2

About 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride

6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (PubChem CID 120749719) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
PubChem CID120749719
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
SMILESCl.N[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N4O2S.ClH/c18-14-10-20(9-13(14)11-4-2-1-3-5-11)15(22)12-8-19-17-21(16(12)23)6-7-24-17;/h1-5,8,13-14H,6-7,9-10,18H2;1H/t13-,14+;/m0./s1
InChIKeyYZSWAIBOKIVMKO-LMRHVHIWSA-N
XLogP1.34
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 30662122
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120749650
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 120746552
6-(4-pyridin-2-yloxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127434629
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120749355
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-6-(trifluoromethyl)-1H-pyridin-2-one;hydrochloride
CID 120748597
6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 39996236
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120749297
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 120747084
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-cyclopropyl-2-pyridinyl)methanone;dihydrochloride
CID 120749345
ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 94480437
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 120747184

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride (CID 120749719) is 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is Cl.N[C@@H]1CN(C(=O)c2cnc3n(c2=O)CCS3)C[C@H]1c1ccccc1.
What is the InChIKey of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
The InChIKey is YZSWAIBOKIVMKO-LMRHVHIWSA-N. The full InChI is InChI=1S/C17H18N4O2S.ClH/c18-14-10-20(9-13(14)11-4-2-1-3-5-11)15(22)12-8-19-17-21(16(12)23)6-7-24-17;/h1-5,8,13-14H,6-7,9-10,18H2;1H/t13-,14+;/m0./s1.
What are the key properties of 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride?
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride has a molecular weight of 378.89 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 120749719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).