6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine

C16H14N4S2 — CID 44590971

IUPAC6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(-n3ccc(-c4cccs4)n3)ncnc2s1
InChIInChI=1S/C16H14N4S2/c1-10(2)14-8-11-15(17-9-18-16(11)22-14)20-6-5-12(19-20)13-4-3-7-21-13/h3-10H,1-2H3
InChIKeyBEWGYPGRVNUSNM-UHFFFAOYSA-N
MW326.45 g/mol
LogP4.73
Rot. Bonds3

About 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine

6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 44590971) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
PubChem CID44590971
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC Name6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine
SMILESCC(C)c1cc2c(-n3ccc(-c4cccs4)n3)ncnc2s1
InChIInChI=1S/C16H14N4S2/c1-10(2)14-8-11-15(17-9-18-16(11)22-14)20-6-5-12(19-20)13-4-3-7-21-13/h3-10H,1-2H3
InChIKeyBEWGYPGRVNUSNM-UHFFFAOYSA-N
XLogP4.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine (CID 44590971) is 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine is CC(C)c1cc2c(-n3ccc(-c4cccs4)n3)ncnc2s1.
What is the InChIKey of 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is BEWGYPGRVNUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S2/c1-10(2)14-8-11-15(17-9-18-16(11)22-14)20-6-5-12(19-20)13-4-3-7-21-13/h3-10H,1-2H3.
What are the key properties of 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine?
6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 326.45 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-(3-thiophen-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 44590971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).