2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H15N5OS2 — CID 18123956

IUPAC2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C14H15N5OS2/c1-8-12(9(2)19(3)18-8)17-11(20)6-22-14-13-10(4-5-21-13)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,17,20)
InChIKeyXIGUZNQNRLQYOZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.77
Rot. Bonds4

About 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 18123956) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID18123956
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C14H15N5OS2/c1-8-12(9(2)19(3)18-8)17-11(20)6-22-14-13-10(4-5-21-13)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,17,20)
InChIKeyXIGUZNQNRLQYOZ-UHFFFAOYSA-N
XLogP2.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245034
methyl 2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetate
CID 2808870
N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123864
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
methyl 4-methyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate
CID 34247171
N-(2,4-dichlorophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34245203
N-(3-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 34244719
1-(4-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone
CID 34256425
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
N-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
N-ethyl-3-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 17418273

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 18123956) is 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1ncnc2ccsc12.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is XIGUZNQNRLQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-8-12(9(2)19(3)18-8)17-11(20)6-22-14-13-10(4-5-21-13)15-7-16-14/h4-5,7H,6H2,1-3H3,(H,17,20).
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 18123956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).