N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

C9H9BrN2S2 — CID 165445282

IUPACN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESBrc1cnsc1CNCc1cccs1
InChIInChI=1S/C9H9BrN2S2/c10-8-5-12-14-9(8)6-11-4-7-2-1-3-13-7/h1-3,5,11H,4,6H2
InChIKeyANPCAYHYKAERIC-UHFFFAOYSA-N
MW289.22 g/mol
LogP3.26
Rot. Bonds4

About N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 165445282) has the molecular formula C9H9BrN2S2 and a molecular weight of 289.22 g/mol. Its IUPAC name is N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID165445282
Molecular FormulaC9H9BrN2S2
Molecular Weight289.22 g/mol
Exact Mass287.94
IUPAC NameN-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESBrc1cnsc1CNCc1cccs1
InChIInChI=1S/C9H9BrN2S2/c10-8-5-12-14-9(8)6-11-4-7-2-1-3-13-7/h1-3,5,11H,4,6H2
InChIKeyANPCAYHYKAERIC-UHFFFAOYSA-N
XLogP3.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 65199569
1-(2,4-dibromophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 107938689
5-bromo-2-[(thiophen-2-ylmethylamino)methyl]pyridin-3-ol
CID 167933826
4-bromo-3-[(thiophen-2-ylmethylamino)methyl]phenol
CID 115741779
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66407617
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
N-[(5-bromo-2-ethoxyphenyl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 6457831
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 165445282) is N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is Brc1cnsc1CNCc1cccs1.
What is the InChIKey of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is ANPCAYHYKAERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S2/c10-8-5-12-14-9(8)6-11-4-7-2-1-3-13-7/h1-3,5,11H,4,6H2.
What are the key properties of N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 289.22 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,2-thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 165445282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).