2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

C13H12N4O3S — CID 119194994

IUPAC2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnc(-c2ncccn2)s1)C1CC1
InChIInChI=1S/C13H12N4O3S/c18-10(19)7-17(8-2-3-8)13(20)9-6-16-12(21-9)11-14-4-1-5-15-11/h1,4-6,8H,2-3,7H2,(H,18,19)
InChIKeyCOWFNJKEJMYTLV-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.29
Rot. Bonds5

About 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid

2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (PubChem CID 119194994) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
PubChem CID119194994
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cnc(-c2ncccn2)s1)C1CC1
InChIInChI=1S/C13H12N4O3S/c18-10(19)7-17(8-2-3-8)13(20)9-6-16-12(21-9)11-14-4-1-5-15-11/h1,4-6,8H,2-3,7H2,(H,18,19)
InChIKeyCOWFNJKEJMYTLV-UHFFFAOYSA-N
XLogP1.29
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid (CID 119194994) is 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1cnc(-c2ncccn2)s1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
The InChIKey is COWFNJKEJMYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-10(19)7-17(8-2-3-8)13(20)9-6-16-12(21-9)11-14-4-1-5-15-11/h1,4-6,8H,2-3,7H2,(H,18,19).
What are the key properties of 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid?
2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid has a molecular weight of 304.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).