[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid

C8H9N5O2S — CID 123884050

IUPAC[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid
SMILESCN(C)c1ncc2nc(NC(=O)O)sc2n1
InChIInChI=1S/C8H9N5O2S/c1-13(2)6-9-3-4-5(11-6)16-7(10-4)12-8(14)15/h3H,1-2H3,(H,10,12)(H,14,15)
InChIKeyKLVHSUOLUFWNDO-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.24
Rot. Bonds2

About [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid

[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid (PubChem CID 123884050) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid
PubChem CID123884050
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid
SMILESCN(C)c1ncc2nc(NC(=O)O)sc2n1
InChIInChI=1S/C8H9N5O2S/c1-13(2)6-9-3-4-5(11-6)16-7(10-4)12-8(14)15/h3H,1-2H3,(H,10,12)(H,14,15)
InChIKeyKLVHSUOLUFWNDO-UHFFFAOYSA-N
XLogP1.24
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid?
The IUPAC name of [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid (CID 123884050) is [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid.
What is the SMILES notation for [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid?
The canonical SMILES for [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid is CN(C)c1ncc2nc(NC(=O)O)sc2n1.
What is the InChIKey of [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid?
The InChIKey is KLVHSUOLUFWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-13(2)6-9-3-4-5(11-6)16-7(10-4)12-8(14)15/h3H,1-2H3,(H,10,12)(H,14,15).
What are the key properties of [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid?
[5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid has a molecular weight of 239.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]carbamic acid is sourced from PubChem (CID 123884050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).