2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol

C10H8BrClN2S2 — CID 168583358

IUPAC2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
SMILESSc1c(Br)cccc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H8BrClN2S2/c11-7-2-1-3-8(9(7)15)13-4-6-5-14-10(12)16-6/h1-3,5,13,15H,4H2
InChIKeyWRQSQWBBMHDZHH-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.46
Rot. Bonds3

About 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol

2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol (PubChem CID 168583358) has the molecular formula C10H8BrClN2S2 and a molecular weight of 335.68 g/mol. Its IUPAC name is 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol.

Molecular Properties

Compound Name2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
PubChem CID168583358
Molecular FormulaC10H8BrClN2S2
Molecular Weight335.68 g/mol
Exact Mass333.90
IUPAC Name2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol
SMILESSc1c(Br)cccc1NCc1cnc(Cl)s1
InChIInChI=1S/C10H8BrClN2S2/c11-7-2-1-3-8(9(7)15)13-4-6-5-14-10(12)16-6/h1-3,5,13,15H,4H2
InChIKeyWRQSQWBBMHDZHH-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 168579944
4-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-iodo-3-methylaniline
CID 168582754
2-[3-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]phenol
CID 168581714
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
2-bromo-4-chloro-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenol
CID 168581614
2-bromo-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 168583195
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-nitroaniline
CID 168582038
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-isoindol-4-amine
CID 168583874
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzene-1,4-diol
CID 168582764
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-2,2,2-trifluoroethanone
CID 168580944
3-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)aniline
CID 168580268

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol?
The IUPAC name of 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol (CID 168583358) is 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol.
What is the SMILES notation for 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol?
The canonical SMILES for 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol is Sc1c(Br)cccc1NCc1cnc(Cl)s1.
What is the InChIKey of 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol?
The InChIKey is WRQSQWBBMHDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S2/c11-7-2-1-3-8(9(7)15)13-4-6-5-14-10(12)16-6/h1-3,5,13,15H,4H2.
What are the key properties of 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol?
2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol has a molecular weight of 335.68 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzenethiol is sourced from PubChem (CID 168583358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).