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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[[2-(3-bromo-5-fluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 66423090
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103485307
N-(4-aminocyclohexyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119477819
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289

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).