2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline

C10H8Br2N2S — CID 63656219

IUPAC2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2nccs2)c1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-8(12)9(5-7)14-6-10-13-3-4-15-10/h1-5,14H,6H2
InChIKeyHNXCHAJYXGZBOX-UHFFFAOYSA-N
MW348.06 g/mol
LogP4.28
Rot. Bonds3

About 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline

2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63656219) has the molecular formula C10H8Br2N2S and a molecular weight of 348.06 g/mol. Its IUPAC name is 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63656219
Molecular FormulaC10H8Br2N2S
Molecular Weight348.06 g/mol
Exact Mass345.88
IUPAC Name2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESBrc1ccc(Br)c(NCc2nccs2)c1
InChIInChI=1S/C10H8Br2N2S/c11-7-1-2-8(12)9(5-7)14-6-10-13-3-4-15-10/h1-5,14H,6H2
InChIKeyHNXCHAJYXGZBOX-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657020
2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
3-bromo-4-(1,3-thiazol-2-ylmethylamino)benzenesulfonamide
CID 55248530
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
4-bromo-3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 103579715
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
1-(2-bromo-5-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 66159186
1-(2,5-dibromophenyl)-N-ethyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015176
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43789270

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63656219) is 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline is Brc1ccc(Br)c(NCc2nccs2)c1.
What is the InChIKey of 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is HNXCHAJYXGZBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2S/c11-7-1-2-8(12)9(5-7)14-6-10-13-3-4-15-10/h1-5,14H,6H2.
What are the key properties of 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline?
2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 348.06 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63656219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).