2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C16H13ClFN3O2S — CID 26664386

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(NC(=O)Cc3c(F)cccc3Cl)c(=O)c2c1C
InChIInChI=1S/C16H13ClFN3O2S/c1-8-9(2)24-15-14(8)16(23)21(7-19-15)20-13(22)6-10-11(17)4-3-5-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22)
InChIKeyHONULKDAZUFZEC-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 26664386) has the molecular formula C16H13ClFN3O2S and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID26664386
Molecular FormulaC16H13ClFN3O2S
Molecular Weight365.82 g/mol
Exact Mass365.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2ncn(NC(=O)Cc3c(F)cccc3Cl)c(=O)c2c1C
InChIInChI=1S/C16H13ClFN3O2S/c1-8-9(2)24-15-14(8)16(23)21(7-19-15)20-13(22)6-10-11(17)4-3-5-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22)
InChIKeyHONULKDAZUFZEC-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)pentanamide
CID 17418394
N-[2-[(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)amino]-2-oxoethyl]-3-methylbenzamide
CID 2425616
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24512946
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8576831
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794
2-(2-chloro-6-fluorophenyl)-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetamide
CID 2471351
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24521210
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 24601343
N-(2,6-diethylphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1078246
N-(2-chloro-4-fluorophenyl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16616506
N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 24601600
1-(4-chlorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 24629751

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 26664386) is 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1sc2ncn(NC(=O)Cc3c(F)cccc3Cl)c(=O)c2c1C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is HONULKDAZUFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2S/c1-8-9(2)24-15-14(8)16(23)21(7-19-15)20-13(22)6-10-11(17)4-3-5-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 365.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 26664386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).