2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

C11H7BrClFN2OS — CID 156735153

IUPAC2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)c1cnc(Br)s1
InChIInChI=1S/C11H7BrClFN2OS/c12-11-16-5-9(18-11)10(17)15-4-6-3-7(13)1-2-8(6)14/h1-3,5H,4H2,(H,15,17)
InChIKeyDHLOYJSOSQZWJX-UHFFFAOYSA-N
MW349.61 g/mol
LogP3.63
Rot. Bonds3

About 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide

2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 156735153) has the molecular formula C11H7BrClFN2OS and a molecular weight of 349.61 g/mol. Its IUPAC name is 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID156735153
Molecular FormulaC11H7BrClFN2OS
Molecular Weight349.61 g/mol
Exact Mass347.91
IUPAC Name2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1cc(Cl)ccc1F)c1cnc(Br)s1
InChIInChI=1S/C11H7BrClFN2OS/c12-11-16-5-9(18-11)10(17)15-4-6-3-7(13)1-2-8(6)14/h1-3,5H,4H2,(H,15,17)
InChIKeyDHLOYJSOSQZWJX-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
CID 167312017
N-[(5-chloro-2-fluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 76848016
N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48571043
4-chloro-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63372919
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
5-chloro-N-[[2-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-2-carboxamide
CID 62277847
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-[(5-chloro-2-fluorophenyl)methyl]-3-oxobutanamide
CID 115176410
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784391
N-[(5-chloro-2-fluorophenyl)methyl]-3-sulfanylpropanamide
CID 115167873
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide (CID 156735153) is 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCc1cc(Cl)ccc1F)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DHLOYJSOSQZWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2OS/c12-11-16-5-9(18-11)10(17)15-4-6-3-7(13)1-2-8(6)14/h1-3,5H,4H2,(H,15,17).
What are the key properties of 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide?
2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 349.61 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 156735153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).