N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide

C19H20FN3OS2 — CID 46623153

IUPACN-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
SMILESCC(Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC(C)(C)C
InChIInChI=1S/C19H20FN3OS2/c1-11(16(24)23-19(2,3)4)26-18-15-14(9-25-17(15)21-10-22-18)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,23,24)
InChIKeyHLCJMXXHFPTEMH-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.89
Rot. Bonds4

About N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide

N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide (PubChem CID 46623153) has the molecular formula C19H20FN3OS2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
PubChem CID46623153
Molecular FormulaC19H20FN3OS2
Molecular Weight389.52 g/mol
Exact Mass389.10
IUPAC NameN-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide
SMILESCC(Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC(C)(C)C
InChIInChI=1S/C19H20FN3OS2/c1-11(16(24)23-19(2,3)4)26-18-15-14(9-25-17(15)21-10-22-18)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,23,24)
InChIKeyHLCJMXXHFPTEMH-UHFFFAOYSA-N
XLogP4.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 51533837
N-tert-butyl-2-[[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]-methylamino]acetamide
CID 42000688
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1139710
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]propanamide
CID 24500809
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-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55365766
2-methylpropyl 2-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoate
CID 4070547
5-[1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 42948014
(2S)-N-tert-butyl-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide
CID 40810328
5-[(1R)-1-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethyl]-3-propyl-1,2,4-oxadiazole
CID 35170206
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutanoic acid
CID 3471376
(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 2452258

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide?
The IUPAC name of N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide (CID 46623153) is N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide.
What is the SMILES notation for N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide?
The canonical SMILES for N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide is CC(Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide?
The InChIKey is HLCJMXXHFPTEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2/c1-11(16(24)23-19(2,3)4)26-18-15-14(9-25-17(15)21-10-22-18)12-5-7-13(20)8-6-12/h5-11H,1-4H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide?
N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide has a molecular weight of 389.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 46623153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).