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

C12H13N3O3S — CID 54945119

IUPAC2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-10-5-8(13-12-15(10)3-4-19-12)6-14(7-11(17)18)9-1-2-9/h3-5,9H,1-2,6-7H2,(H,17,18)
InChIKeyKOILSBDZYXWIDP-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.81
Rot. Bonds5

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

2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 54945119) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
PubChem CID54945119
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1cc(=O)n2ccsc2n1)C1CC1
InChIInChI=1S/C12H13N3O3S/c16-10-5-8(13-12-15(10)3-4-19-12)6-14(7-11(17)18)9-1-2-9/h3-5,9H,1-2,6-7H2,(H,17,18)
InChIKeyKOILSBDZYXWIDP-UHFFFAOYSA-N
XLogP0.81
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 54945119) is 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1cc(=O)n2ccsc2n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
The InChIKey is KOILSBDZYXWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10-5-8(13-12-15(10)3-4-19-12)6-14(7-11(17)18)9-1-2-9/h3-5,9H,1-2,6-7H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?
2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 279.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 54945119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).