2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C17H19N5O2S3 — CID 127254840

IUPAC2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCc1sc2nc(CSCC(=O)Nc3c4c(nn3C)CSC4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H19N5O2S3/c1-8-9(2)27-17-14(8)16(24)18-12(19-17)6-26-7-13(23)20-15-10-4-25-5-11(10)21-22(15)3/h4-7H2,1-3H3,(H,20,23)(H,18,19,24)
InChIKeyLBIPHFVABHTESO-UHFFFAOYSA-N
MW421.57 g/mol
LogP2.95
Rot. Bonds5

About 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 127254840) has the molecular formula C17H19N5O2S3 and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID127254840
Molecular FormulaC17H19N5O2S3
Molecular Weight421.57 g/mol
Exact Mass421.07
IUPAC Name2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESCc1sc2nc(CSCC(=O)Nc3c4c(nn3C)CSC4)[nH]c(=O)c2c1C
InChIInChI=1S/C17H19N5O2S3/c1-8-9(2)27-17-14(8)16(24)18-12(19-17)6-26-7-13(23)20-15-10-4-25-5-11(10)21-22(15)3/h4-7H2,1-3H3,(H,20,23)(H,18,19,24)
InChIKeyLBIPHFVABHTESO-UHFFFAOYSA-N
XLogP2.95
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide with MolForge

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7250157
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2505388
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propylacetamide
CID 7250211
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 45495654
N-(2-acetylphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7247183
N-[4-(dimethylamino)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7588684
N-(5-chloro-2-hydroxyphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 45491987
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(2S)-pentan-2-yl]acetamide
CID 7247179
N-(3-chlorophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7250379
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-methylbutylcarbamoyl)acetamide
CID 2520591
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 11892289
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7250207

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 127254840) is 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is Cc1sc2nc(CSCC(=O)Nc3c4c(nn3C)CSC4)[nH]c(=O)c2c1C.
What is the InChIKey of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is LBIPHFVABHTESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S3/c1-8-9(2)27-17-14(8)16(24)18-12(19-17)6-26-7-13(23)20-15-10-4-25-5-11(10)21-22(15)3/h4-7H2,1-3H3,(H,20,23)(H,18,19,24).
What are the key properties of 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 127254840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).