2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid

C16H16N2O3S — CID 119194986

IUPAC2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCc1ccccc1-c1nc(C(=O)N(CC(=O)O)C2CC2)cs1
InChIInChI=1S/C16H16N2O3S/c1-10-4-2-3-5-12(10)15-17-13(9-22-15)16(21)18(8-14(19)20)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,19,20)
InChIKeyLTEQARPYEAPYOU-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.81
Rot. Bonds5

About 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid

2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid (PubChem CID 119194986) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
PubChem CID119194986
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
SMILESCc1ccccc1-c1nc(C(=O)N(CC(=O)O)C2CC2)cs1
InChIInChI=1S/C16H16N2O3S/c1-10-4-2-3-5-12(10)15-17-13(9-22-15)16(21)18(8-14(19)20)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,19,20)
InChIKeyLTEQARPYEAPYOU-UHFFFAOYSA-N
XLogP2.81
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid (CID 119194986) is 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid is Cc1ccccc1-c1nc(C(=O)N(CC(=O)O)C2CC2)cs1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
The InChIKey is LTEQARPYEAPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-4-2-3-5-12(10)15-17-13(9-22-15)16(21)18(8-14(19)20)11-6-7-11/h2-5,9,11H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119194986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).