N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C20H17FN4OS3 — CID 1440712

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H17FN4OS3/c1-10-11(2)29-19-17(10)18(22-12(3)23-19)27-9-16(26)25-20-24-15(8-28-20)13-4-6-14(21)7-5-13/h4-8H,9H2,1-3H3,(H,24,25,26)
InChIKeyIOKNJAJFRFMOBI-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.61
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 1440712) has the molecular formula C20H17FN4OS3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID1440712
Molecular FormulaC20H17FN4OS3
Molecular Weight444.58 g/mol
Exact Mass444.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H17FN4OS3/c1-10-11(2)29-19-17(10)18(22-12(3)23-19)27-9-16(26)25-20-24-15(8-28-20)13-4-6-14(21)7-5-13/h4-8H,9H2,1-3H3,(H,24,25,26)
InChIKeyIOKNJAJFRFMOBI-UHFFFAOYSA-N
XLogP5.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1076016
2-[(2-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 3189372
N-(2-iodophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41213688
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135476954
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 4659794
N-[4-(difluoromethoxy)phenyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362656
N-(2,3-dihydro-1H-inden-5-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362661
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 24585178
N-(2-ethoxyphenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1440700
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 8010205
1-(2,5-difluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 8952020
N-pentan-3-yl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680393

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 1440712) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2c(C)c(C)sc2n1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is IOKNJAJFRFMOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS3/c1-10-11(2)29-19-17(10)18(22-12(3)23-19)27-9-16(26)25-20-24-15(8-28-20)13-4-6-14(21)7-5-13/h4-8H,9H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 444.58 g/mol, XLogP of 5.61, 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-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1440712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).