(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone

C10H5BrClNOS — CID 164645649

IUPAC(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C10H5BrClNOS/c11-9-2-1-7(12)3-8(9)10(14)6-4-13-15-5-6/h1-5H
InChIKeyVSXZXALGQVXTMK-UHFFFAOYSA-N
MW302.58 g/mol
LogP3.79
Rot. Bonds2

About (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone

(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone (PubChem CID 164645649) has the molecular formula C10H5BrClNOS and a molecular weight of 302.58 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone
PubChem CID164645649
Molecular FormulaC10H5BrClNOS
Molecular Weight302.58 g/mol
Exact Mass300.90
IUPAC Name(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C10H5BrClNOS/c11-9-2-1-7(12)3-8(9)10(14)6-4-13-15-5-6/h1-5H
InChIKeyVSXZXALGQVXTMK-UHFFFAOYSA-N
XLogP3.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.58
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645645
(2-bromo-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81110557
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
(5-bromo-3-pyridinyl)-(2,5-dichlorophenyl)methanone
CID 43167259
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
(3-chloro-2-pyridinyl)-(1,2-thiazol-4-yl)methanone
CID 164647361
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655
2-[4-(2-bromo-5-chlorobenzoyl)phenoxy]-N-pyridin-3-ylacetamide
CID 162651453
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
(1E)-2-bromo-5-chloro-N-hydroxybenzenecarboximidoyl chloride
CID 106892109
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone?
The IUPAC name of (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone (CID 164645649) is (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone is O=C(c1cnsc1)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is VSXZXALGQVXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNOS/c11-9-2-1-7(12)3-8(9)10(14)6-4-13-15-5-6/h1-5H.
What are the key properties of (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone?
(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone has a molecular weight of 302.58 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 164645649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).