(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol

C10H7F3N2OS — CID 114058083

IUPAC(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol
SMILESNc1ncc(C(O)c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C10H7F3N2OS/c11-5-2-7(13)6(12)1-4(5)9(16)8-3-15-10(14)17-8/h1-3,9,16H,(H2,14,15)
InChIKeyRQUWJFDWFYELGB-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.22
Rot. Bonds2

About (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol

(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 114058083) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol
PubChem CID114058083
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol
SMILESNc1ncc(C(O)c2cc(F)c(F)cc2F)s1
InChIInChI=1S/C10H7F3N2OS/c11-5-2-7(13)6(12)1-4(5)9(16)8-3-15-10(14)17-8/h1-3,9,16H,(H2,14,15)
InChIKeyRQUWJFDWFYELGB-UHFFFAOYSA-N
XLogP2.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
(2-amino-1,3-thiazol-5-yl)-(2,4-dimethoxyphenyl)methanol
CID 113370193
ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
(2-amino-1,3-thiazol-5-yl)-(2-methylquinolin-6-yl)methanol
CID 105379207
5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
CID 107476819
5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517381
(2,4,5-trifluorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 103303216
(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 106782299
5-[(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-1,3-thiazol-2-amine
CID 88927634
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(5-tert-butylthiophen-2-yl)-(4-chloro-2,5-difluorophenyl)methanol
CID 82771349

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol (CID 114058083) is (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol is Nc1ncc(C(O)c2cc(F)c(F)cc2F)s1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is RQUWJFDWFYELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-5-2-7(13)6(12)1-4(5)9(16)8-3-15-10(14)17-8/h1-3,9,16H,(H2,14,15).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol?
(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol has a molecular weight of 260.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 114058083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).