1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol

C12H11N3OS2 — CID 162653543

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol
SMILESCc1csc(C(C)(O)c2ncnc3sccc23)n1
InChIInChI=1S/C12H11N3OS2/c1-7-5-18-11(15-7)12(2,16)9-8-3-4-17-10(8)14-6-13-9/h3-6,16H,1-2H3
InChIKeyFTCQJKTZYQLYHU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.71
Rot. Bonds2

About 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol

1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol (PubChem CID 162653543) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol
PubChem CID162653543
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol
SMILESCc1csc(C(C)(O)c2ncnc3sccc23)n1
InChIInChI=1S/C12H11N3OS2/c1-7-5-18-11(15-7)12(2,16)9-8-3-4-17-10(8)14-6-13-9/h3-6,16H,1-2H3
InChIKeyFTCQJKTZYQLYHU-UHFFFAOYSA-N
XLogP2.71
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol (CID 162653543) is 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol is Cc1csc(C(C)(O)c2ncnc3sccc23)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol?
The InChIKey is FTCQJKTZYQLYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-7-5-18-11(15-7)12(2,16)9-8-3-4-17-10(8)14-6-13-9/h3-6,16H,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol?
1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol has a molecular weight of 277.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylethanol is sourced from PubChem (CID 162653543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).