(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride

C11H9BrClF3N2S — CID 139270761

IUPAC(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br
InChIInChI=1S/C11H8BrF3N2S.ClH/c12-10-9(17-5-18-10)8(16)6-1-3-7(4-2-6)11(13,14)15;/h1-5,8H,16H2;1H
InChIKeyVHOLVCLHMVYKEP-UHFFFAOYSA-N
MW373.63 g/mol
LogP4.39
Rot. Bonds2

About (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride

(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 139270761) has the molecular formula C11H9BrClF3N2S and a molecular weight of 373.63 g/mol. Its IUPAC name is (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID139270761
Molecular FormulaC11H9BrClF3N2S
Molecular Weight373.63 g/mol
Exact Mass371.93
IUPAC Name(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCl.NC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br
InChIInChI=1S/C11H8BrF3N2S.ClH/c12-10-9(17-5-18-10)8(16)6-1-3-7(4-2-6)11(13,14)15;/h1-5,8H,16H2;1H
InChIKeyVHOLVCLHMVYKEP-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43104550
(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 80529980
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 139270761) is (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride is Cl.NC(c1ccc(C(F)(F)F)cc1)c1ncsc1Br.
What is the InChIKey of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is VHOLVCLHMVYKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2S.ClH/c12-10-9(17-5-18-10)8(16)6-1-3-7(4-2-6)11(13,14)15;/h1-5,8H,16H2;1H.
What are the key properties of (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 373.63 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-thiazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 139270761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).