N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide

C20H13Cl2FN4OS2 — CID 16570594

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide
SMILESCC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2FN4OS2/c1-10(19(28)27-18-14(22)6-12(21)8-24-18)29-20-17-15(25-9-26-20)7-16(30-17)11-2-4-13(23)5-3-11/h2-10H,1H3,(H,24,27,28)
InChIKeyKFFWHIBVRPLNIY-UHFFFAOYSA-N
MW479.39 g/mol
LogP6.32
Rot. Bonds5

About N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide

N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide (PubChem CID 16570594) has the molecular formula C20H13Cl2FN4OS2 and a molecular weight of 479.39 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide
PubChem CID16570594
Molecular FormulaC20H13Cl2FN4OS2
Molecular Weight479.39 g/mol
Exact Mass477.99
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide
SMILESCC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C20H13Cl2FN4OS2/c1-10(19(28)27-18-14(22)6-12(21)8-24-18)29-20-17-15(25-9-26-20)7-16(30-17)11-2-4-13(23)5-3-11/h2-10H,1H3,(H,24,27,28)
InChIKeyKFFWHIBVRPLNIY-UHFFFAOYSA-N
XLogP6.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sns-314
CID 24995524
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
1-(4-Chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138113
1-(2-Chlorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138114
1-(3-Chloro-4-fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138116
N-(2-(2,6-Dichlorophenyl)thiazolo[5,4-c]pyridin-4-yl)cyclopropanecarboxamide
CID 56953110
2-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25138106
4-((4-chlorobenzyl)thio)-N,N-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-9-amine
CID 1069463
Cathepsin C-IN-5
CID 163409160
N-[4-[[5-chloro-2-[(5-thiophen-3-yl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 168292028
4-[(6-Aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
CID 56952915
N-(3,5-dichloro-2-pyridinyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide
CID 3913264

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide (CID 16570594) is N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide is CC(Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide?
The InChIKey is KFFWHIBVRPLNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2FN4OS2/c1-10(19(28)27-18-14(22)6-12(21)8-24-18)29-20-17-15(25-9-26-20)7-16(30-17)11-2-4-13(23)5-3-11/h2-10H,1H3,(H,24,27,28).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide?
N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide has a molecular weight of 479.39 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 16570594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).