2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol

C12H12N4OS2 — CID 59732351

IUPAC2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(-c2nccs2)c2sccc2n1
InChIInChI=1S/C12H12N4OS2/c1-7(6-17)14-12-15-8-2-4-18-10(8)9(16-12)11-13-3-5-19-11/h2-5,7,17H,6H2,1H3,(H,14,15,16)
InChIKeyAVWOEMWJYYSALS-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.61
Rot. Bonds4

About 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol

2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 59732351) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol
PubChem CID59732351
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(-c2nccs2)c2sccc2n1
InChIInChI=1S/C12H12N4OS2/c1-7(6-17)14-12-15-8-2-4-18-10(8)9(16-12)11-13-3-5-19-11/h2-5,7,17H,6H2,1H3,(H,14,15,16)
InChIKeyAVWOEMWJYYSALS-UHFFFAOYSA-N
XLogP2.61
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol (CID 59732351) is 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(-c2nccs2)c2sccc2n1.
What is the InChIKey of 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is AVWOEMWJYYSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-7(6-17)14-12-15-8-2-4-18-10(8)9(16-12)11-13-3-5-19-11/h2-5,7,17H,6H2,1H3,(H,14,15,16).
What are the key properties of 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol?
2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 292.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 59732351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).