N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C16H11BrF3N3OS — CID 143265581

IUPACN-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Oc1ncc(Br)cc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H11BrF3N3OS/c1-9-4-2-3-5-12(9)24-14-11(6-10(17)7-21-14)22-15-23-13(8-25-15)16(18,19)20/h2-8H,1H3,(H,22,23)
InChIKeyRRUPAIQNLTXBOT-UHFFFAOYSA-N
MW430.25 g/mol
LogP6.16
Rot. Bonds4

About N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 143265581) has the molecular formula C16H11BrF3N3OS and a molecular weight of 430.25 g/mol. Its IUPAC name is N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID143265581
Molecular FormulaC16H11BrF3N3OS
Molecular Weight430.25 g/mol
Exact Mass428.98
IUPAC NameN-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccccc1Oc1ncc(Br)cc1Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H11BrF3N3OS/c1-9-4-2-3-5-12(9)24-14-11(6-10(17)7-21-14)22-15-23-13(8-25-15)16(18,19)20/h2-8H,1H3,(H,22,23)
InChIKeyRRUPAIQNLTXBOT-UHFFFAOYSA-N
XLogP6.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
CID 143265469
N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128894
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 175598206
4-tert-butyl-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1,3-thiazol-2-amine
CID 170985858
2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 59128898
N-[2-(2-tert-butylphenoxy)thiophen-3-yl]-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-2-amine
CID 59128780
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59128807
N-(5-bromopyrimidin-2-yl)-4-tert-butyl-1,3-thiazol-2-amine
CID 63874771
4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 130497378
5-bromo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 43068584
3-[2-[[2-(2-tert-butylphenoxy)-3-pyridinyl]amino]-1,3-thiazol-4-yl]-3-methylbutanoic acid
CID 59129074
N-(1-phenylethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 53443796

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 143265581) is N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccccc1Oc1ncc(Br)cc1Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is RRUPAIQNLTXBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3OS/c1-9-4-2-3-5-12(9)24-14-11(6-10(17)7-21-14)22-15-23-13(8-25-15)16(18,19)20/h2-8H,1H3,(H,22,23).
What are the key properties of N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 430.25 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143265581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).