2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C9H10F3N3O3S — CID 79265645

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cnc(NC(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H10F3N3O3S/c1-5-2-13-7(19-5)14-8(18)15(3-6(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,16,17)(H,13,14,18)
InChIKeySNINHLVYNSTMQQ-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.93
Rot. Bonds4

About 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265645) has the molecular formula C9H10F3N3O3S and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265645
Molecular FormulaC9H10F3N3O3S
Molecular Weight297.26 g/mol
Exact Mass297.04
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cnc(NC(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C9H10F3N3O3S/c1-5-2-13-7(19-5)14-8(18)15(3-6(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,16,17)(H,13,14,18)
InChIKeySNINHLVYNSTMQQ-UHFFFAOYSA-N
XLogP1.93
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265645) is 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cnc(NC(=O)N(CC(=O)O)CC(F)(F)F)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SNINHLVYNSTMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3S/c1-5-2-13-7(19-5)14-8(18)15(3-6(16)17)4-9(10,11)12/h2H,3-4H2,1H3,(H,16,17)(H,13,14,18).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 297.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).