5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole

C10H7BrClNS — CID 138571512

IUPAC5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
SMILESClc1ncc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C10H7BrClNS/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2
InChIKeyZZFCNRLZHYEHJN-UHFFFAOYSA-N
MW288.60 g/mol
LogP4.15
Rot. Bonds2

About 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole

5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole (PubChem CID 138571512) has the molecular formula C10H7BrClNS and a molecular weight of 288.60 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
PubChem CID138571512
Molecular FormulaC10H7BrClNS
Molecular Weight288.60 g/mol
Exact Mass286.92
IUPAC Name5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
SMILESClc1ncc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C10H7BrClNS/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2
InChIKeyZZFCNRLZHYEHJN-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054774
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
2-[(3-bromophenyl)methyl]-5-methylthiophene
CID 23103385
2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole
CID 70242360
2-[(3-bromophenyl)methyl]-1-benzothiophene
CID 67069102
5-[(3-bromophenyl)methyl]-3-chloro-1,2,4-thiadiazole
CID 102943987
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 7454421
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119752437
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 166383774
N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 23855488
1-[2-[(3-bromophenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086653

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole?
The IUPAC name of 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole (CID 138571512) is 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole?
The canonical SMILES for 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole is Clc1ncc(Cc2cccc(Br)c2)s1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole?
The InChIKey is ZZFCNRLZHYEHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNS/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2.
What are the key properties of 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole?
5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole has a molecular weight of 288.60 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole is sourced from PubChem (CID 138571512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).