5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C9H7BrClN3OS — CID 64623490

IUPAC5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nnc(Br)s2)c1
InChIInChI=1S/C9H7BrClN3OS/c1-15-5-2-3-6(11)7(4-5)12-9-14-13-8(10)16-9/h2-4H,1H3,(H,12,14)
InChIKeyREMDTPSFMGHJLM-UHFFFAOYSA-N
MW320.60 g/mol
LogP3.71
Rot. Bonds3

About 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623490) has the molecular formula C9H7BrClN3OS and a molecular weight of 320.60 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID64623490
Molecular FormulaC9H7BrClN3OS
Molecular Weight320.60 g/mol
Exact Mass318.92
IUPAC Name5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(Cl)c(Nc2nnc(Br)s2)c1
InChIInChI=1S/C9H7BrClN3OS/c1-15-5-2-3-6(11)7(4-5)12-9-14-13-8(10)16-9/h2-4H,1H3,(H,12,14)
InChIKeyREMDTPSFMGHJLM-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114072136
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CID 82804162
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
N-[1-(4-bromophenyl)ethyl]-2-chloro-5-methoxyaniline
CID 55193327
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004624
N-(2-chloro-5-methoxyphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62517518
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
2-chloro-N-(1,1-difluoropropan-2-yl)-5-methoxyaniline
CID 102869387
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-ethylpyrimidin-4-amine
CID 80935640
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 64623490) is 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccc(Cl)c(Nc2nnc(Br)s2)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is REMDTPSFMGHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3OS/c1-15-5-2-3-6(11)7(4-5)12-9-14-13-8(10)16-9/h2-4H,1H3,(H,12,14).
What are the key properties of 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 320.60 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-5-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).