2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline

C9H7BrClN3S — CID 81270374

IUPAC2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2csnn2)c1
InChIInChI=1S/C9H7BrClN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyUQYXUANKPCUFLU-UHFFFAOYSA-N
MW304.60 g/mol
LogP3.57
Rot. Bonds3

About 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline

2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 81270374) has the molecular formula C9H7BrClN3S and a molecular weight of 304.60 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID81270374
Molecular FormulaC9H7BrClN3S
Molecular Weight304.60 g/mol
Exact Mass302.92
IUPAC Name2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
SMILESClc1ccc(Br)c(NCc2csnn2)c1
InChIInChI=1S/C9H7BrClN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2
InChIKeyUQYXUANKPCUFLU-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
4-chloro-N,N-dimethyl-2-(thiadiazol-4-ylmethylamino)benzamide
CID 43737681
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2-bromo-N-[(1-tert-butyltriazol-4-yl)methyl]-5-chloroaniline
CID 103399244
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 62538894
3-[4-[(2-bromo-5-chloroanilino)methyl]triazol-1-yl]propan-1-ol
CID 81263435
2-(2-bromo-5-chloroanilino)-N'-hydroxyethanimidamide
CID 81271015
3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
2-bromo-5-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]aniline
CID 81280452
2-bromo-5-chloro-N-(2-fluoroethyl)aniline
CID 81280084

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline (CID 81270374) is 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline is Clc1ccc(Br)c(NCc2csnn2)c1.
What is the InChIKey of 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is UQYXUANKPCUFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClN3S/c10-8-2-1-6(11)3-9(8)12-4-7-5-15-14-13-7/h1-3,5,12H,4H2.
What are the key properties of 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline?
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 304.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 81270374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).