2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide

C12H10F3N3O2S — CID 62788038

IUPAC2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-20-8-3-1-7(2-4-8)17-10(19)9-5-21-11(16)18-9/h1-5H,6H2,(H2,16,18)(H,17,19)
InChIKeyYKRINMCKNDFCCT-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.92
Rot. Bonds4

About 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788038) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62788038
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-20-8-3-1-7(2-4-8)17-10(19)9-5-21-11(16)18-9/h1-5H,6H2,(H2,16,18)(H,17,19)
InChIKeyYKRINMCKNDFCCT-UHFFFAOYSA-N
XLogP2.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 62788038) is 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YKRINMCKNDFCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)6-20-8-3-1-7(2-4-8)17-10(19)9-5-21-11(16)18-9/h1-5H,6H2,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).