5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C11H9BrF3N3S — CID 106796050

IUPAC5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CNc2ncc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C11H9BrF3N3S/c1-6-18-8(5-19-6)4-17-10-9(11(13,14)15)2-7(12)3-16-10/h2-3,5H,4H2,1H3,(H,16,17)
InChIKeyURCMFEOOSYMCCH-UHFFFAOYSA-N
MW352.18 g/mol
LogP4.24
Rot. Bonds3

About 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796050) has the molecular formula C11H9BrF3N3S and a molecular weight of 352.18 g/mol. Its IUPAC name is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796050
Molecular FormulaC11H9BrF3N3S
Molecular Weight352.18 g/mol
Exact Mass350.97
IUPAC Name5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CNc2ncc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C11H9BrF3N3S/c1-6-18-8(5-19-6)4-17-10-9(11(13,14)15)2-7(12)3-16-10/h2-3,5H,4H2,1H3,(H,16,17)
InChIKeyURCMFEOOSYMCCH-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106382038
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174433
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 61281277
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115773935
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
N-[3-bromo-5-(trifluoromethyl)-2-pyridinyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 119050971
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106796050) is 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is Cc1nc(CNc2ncc(Br)cc2C(F)(F)F)cs1.
What is the InChIKey of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is URCMFEOOSYMCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3S/c1-6-18-8(5-19-6)4-17-10-9(11(13,14)15)2-7(12)3-16-10/h2-3,5H,4H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.18 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).