N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

C11H11BrN2S2 — CID 61282037

IUPACN-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nc(CNC3CC3)cs2)s1
InChIInChI=1S/C11H11BrN2S2/c12-10-4-3-9(16-10)11-14-8(6-15-11)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyREGRKRWTEZELJJ-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.89
Rot. Bonds4

About N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine

N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61282037) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61282037
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC NameN-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESBrc1ccc(-c2nc(CNC3CC3)cs2)s1
InChIInChI=1S/C11H11BrN2S2/c12-10-4-3-9(16-10)11-14-8(6-15-11)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2
InChIKeyREGRKRWTEZELJJ-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61282037) is N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is Brc1ccc(-c2nc(CNC3CC3)cs2)s1.
What is the InChIKey of N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is REGRKRWTEZELJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-10-4-3-9(16-10)11-14-8(6-15-11)5-13-7-1-2-7/h3-4,6-7,13H,1-2,5H2.
What are the key properties of N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 315.26 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61282037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).