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

C13H15N3O3S — CID 43656736

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

2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (PubChem CID 43656736) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• PubChem CID: 43656736
• Molecular Formula: C13H15N3O3S
• Molecular Weight: 293.35 g/mol
• Exact Mass: 293.08
• IUPAC Name: 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
• SMILES: O=C(O)CN(Cc1cc(=O)n2ccsc2n1)CC1CC1
• InChI: InChI=1S/C13H15N3O3S/c17-11-5-10(14-13-16(11)3-4-20-13)7-15(8-12(18)19)6-9-1-2-9/h3-5,9H,1-2,6-8H2,(H,18,19)
• InChIKey: GTLVGIMTRAEXEZ-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 74.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.35
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The IUPAC name of 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid (CID 43656736) is 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid.

What is the SMILES notation for 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The canonical SMILES for 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is O=C(O)CN(Cc1cc(=O)n2ccsc2n1)CC1CC1.

What is the InChIKey of 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

The InChIKey is GTLVGIMTRAEXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11-5-10(14-13-16(11)3-4-20-13)7-15(8-12(18)19)6-9-1-2-9/h3-5,9H,1-2,6-8H2,(H,18,19).

What are the key properties of 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid?

2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid has a molecular weight of 293.35 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropylmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43656736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).