4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one

C10H7BrF3N3OS — CID 106382038

IUPAC4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ncc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C10H7BrF3N3OS/c11-5-1-7(10(12,13)14)8(15-2-5)16-3-6-4-19-9(18)17-6/h1-2,4H,3H2,(H,15,16)(H,17,18)
InChIKeyDQZDDHQSJOHMFE-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.22
Rot. Bonds3

About 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one

4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382038) has the molecular formula C10H7BrF3N3OS and a molecular weight of 354.15 g/mol. Its IUPAC name is 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382038
Molecular FormulaC10H7BrF3N3OS
Molecular Weight354.15 g/mol
Exact Mass352.94
IUPAC Name4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2ncc(Br)cc2C(F)(F)F)cs1
InChIInChI=1S/C10H7BrF3N3OS/c11-5-1-7(10(12,13)14)8(15-2-5)16-3-6-4-19-9(18)17-6/h1-2,4H,3H2,(H,15,16)(H,17,18)
InChIKeyDQZDDHQSJOHMFE-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

4-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379427
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796050
5-bromo-N-[(2-bromophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796056
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106383516
5-bromo-N-[(2,4-difluorophenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796139
2-[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylethanesulfonamide
CID 106338653
5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
4-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384246
5-bromo-N-[(4-methyl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796427
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384148

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106382038) is 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2ncc(Br)cc2C(F)(F)F)cs1.
What is the InChIKey of 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DQZDDHQSJOHMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3N3OS/c11-5-1-7(10(12,13)14)8(15-2-5)16-3-6-4-19-9(18)17-6/h1-2,4H,3H2,(H,15,16)(H,17,18).
What are the key properties of 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 354.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-bromo-3-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).