(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C19H15FN4O2S2 — CID 51533837

IUPAC(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25)/t11-/m1/s1
InChIKeyQTXHRILORXOMRB-LLVKDONJSA-N
MW414.49 g/mol
LogP4.91
Rot. Bonds5

About (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 51533837) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID51533837
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1
InChIInChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25)/t11-/m1/s1
InChIKeyQTXHRILORXOMRB-LLVKDONJSA-N
XLogP4.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
CID 46623153
5-[1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 42948014
5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
CID 35170206
ethyl 2-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 44636139
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1139710
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 2452258
2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46687890
2-methylpropyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 4070547
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoate
CID 3471375
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55365766
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 24597080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 51533837) is (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)on1.
What is the InChIKey of (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is QTXHRILORXOMRB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-10-7-15(26-24-10)23-17(25)11(2)28-19-16-14(8-27-18(16)21-9-22-19)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 414.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 51533837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).