3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol

C8H10N4OS — CID 131026666

IUPAC3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
SMILESOCCCNc1ncnc2scnc12
InChIInChI=1S/C8H10N4OS/c13-3-1-2-9-7-6-8(11-4-10-7)14-5-12-6/h4-5,13H,1-3H2,(H,9,10,11)
InChIKeyIDDQYDLSLGOWSV-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.88
Rot. Bonds4

About 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol

3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol (PubChem CID 131026666) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
PubChem CID131026666
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol
SMILESOCCCNc1ncnc2scnc12
InChIInChI=1S/C8H10N4OS/c13-3-1-2-9-7-6-8(11-4-10-7)14-5-12-6/h4-5,13H,1-3H2,(H,9,10,11)
InChIKeyIDDQYDLSLGOWSV-UHFFFAOYSA-N
XLogP0.88
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130748325
3-[(5-chlorothieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15745923
N-(2H-tetrazol-5-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 126816115
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130698432
3-[(5-iodopyrimidin-4-yl)amino]propan-1-ol
CID 66340103
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
3-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 171390658
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80943609
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol?
The IUPAC name of 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol (CID 131026666) is 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol.
What is the SMILES notation for 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol?
The canonical SMILES for 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol is OCCCNc1ncnc2scnc12.
What is the InChIKey of 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol?
The InChIKey is IDDQYDLSLGOWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c13-3-1-2-9-7-6-8(11-4-10-7)14-5-12-6/h4-5,13H,1-3H2,(H,9,10,11).
What are the key properties of 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol?
3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol has a molecular weight of 210.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)propan-1-ol is sourced from PubChem (CID 131026666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).