N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

C14H15N5OS2 — CID 18123864

IUPACN-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCC(C)n1nccc1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C14H15N5OS2/c1-9(2)19-11(3-5-17-19)18-12(20)7-22-14-13-10(4-6-21-13)15-8-16-14/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyULXNNYFFULMXFH-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.20
Rot. Bonds5

About N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide

N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 18123864) has the molecular formula C14H15N5OS2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID18123864
Molecular FormulaC14H15N5OS2
Molecular Weight333.44 g/mol
Exact Mass333.07
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCC(C)n1nccc1NC(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C14H15N5OS2/c1-9(2)19-11(3-5-17-19)18-12(20)7-22-14-13-10(4-6-21-13)15-8-16-14/h3-6,8-9H,7H2,1-2H3,(H,18,20)
InChIKeyULXNNYFFULMXFH-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylbutan-2-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661730
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39072332
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-propan-2-yl-2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 36983613
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18123956
2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetic acid
CID 43236106
N-(3-methoxypropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 46661847
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
2-methyl-N-[4-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide
CID 34253042
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
CID 18123788

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 18123864) is N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is CC(C)n1nccc1NC(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is ULXNNYFFULMXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS2/c1-9(2)19-11(3-5-17-19)18-12(20)7-22-14-13-10(4-6-21-13)15-8-16-14/h3-6,8-9H,7H2,1-2H3,(H,18,20).
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 333.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 18123864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).