2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid

C12H13N3O3S — CID 55107438

IUPAC2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-9-5-8(14-12-15(9)3-4-19-12)6-13-10(11(17)18)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,17,18)
InChIKeyJDEJNRDBJLRBPL-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.71
Rot. Bonds5

About 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid

2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (PubChem CID 55107438) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
PubChem CID55107438
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-9-5-8(14-12-15(9)3-4-19-12)6-13-10(11(17)18)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,17,18)
InChIKeyJDEJNRDBJLRBPL-UHFFFAOYSA-N
XLogP0.71
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid (CID 55107438) is 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is O=C(O)C(NCc1cc(=O)n2ccsc2n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
The InChIKey is JDEJNRDBJLRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-9-5-8(14-12-15(9)3-4-19-12)6-13-10(11(17)18)7-1-2-7/h3-5,7,10,13H,1-2,6H2,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid is sourced from PubChem (CID 55107438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).