N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C17H11FN4OS3 — CID 24585178

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11FN4OS3/c18-11-3-1-10(2-4-11)13-7-26-17(21-13)22-14(23)8-25-16-15-12(5-6-24-15)19-9-20-16/h1-7,9H,8H2,(H,21,22,23)
InChIKeyYGYCHKUVDMEGEE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.68
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 24585178) has the molecular formula C17H11FN4OS3 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID24585178
Molecular FormulaC17H11FN4OS3
Molecular Weight402.50 g/mol
Exact Mass402.01
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccsc12)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H11FN4OS3/c18-11-3-1-10(2-4-11)13-7-26-17(21-13)22-14(23)8-25-16-15-12(5-6-24-15)19-9-20-16/h1-7,9H,8H2,(H,21,22,23)
InChIKeyYGYCHKUVDMEGEE-UHFFFAOYSA-N
XLogP4.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 8010205
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1440712
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135476954
2-[[3-(4-chlorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3214111
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26071565
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 24585178) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccsc12)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is YGYCHKUVDMEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS3/c18-11-3-1-10(2-4-11)13-7-26-17(21-13)22-14(23)8-25-16-15-12(5-6-24-15)19-9-20-16/h1-7,9H,8H2,(H,21,22,23).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 402.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 24585178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).