(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

C11H7F3N2OS — CID 162617832

IUPAC(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1ncc(C(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)9(17)8-5-16-10(15)18-8/h1-5H,(H2,15,16)
InChIKeyHAKVWNVBNQTFPW-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.98
Rot. Bonds2

About (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone

(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 162617832) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID162617832
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESNc1ncc(C(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)9(17)8-5-16-10(15)18-8/h1-5H,(H2,15,16)
InChIKeyHAKVWNVBNQTFPW-UHFFFAOYSA-N
XLogP2.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 162617832) is (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is Nc1ncc(C(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HAKVWNVBNQTFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)9(17)8-5-16-10(15)18-8/h1-5H,(H2,15,16).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone?
(2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 272.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 162617832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).