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

C14H18BrN3S2 — CID 62431152

IUPACN-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(CNC2CC2)n1)Cc1cc(Br)cs1
InChIInChI=1S/C14H18BrN3S2/c1-18(7-13-4-10(15)8-19-13)6-12-9-20-14(17-12)5-16-11-2-3-11/h4,8-9,11,16H,2-3,5-7H2,1H3
InChIKeyMSAKDXVWIBYPRJ-UHFFFAOYSA-N
MW372.36 g/mol
LogP3.85
Rot. Bonds7

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

N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 62431152) has the molecular formula C14H18BrN3S2 and a molecular weight of 372.36 g/mol. Its IUPAC name is N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID62431152
Molecular FormulaC14H18BrN3S2
Molecular Weight372.36 g/mol
Exact Mass371.01
IUPAC NameN-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCN(Cc1csc(CNC2CC2)n1)Cc1cc(Br)cs1
InChIInChI=1S/C14H18BrN3S2/c1-18(7-13-4-10(15)8-19-13)6-12-9-20-14(17-12)5-16-11-2-3-11/h4,8-9,11,16H,2-3,5-7H2,1H3
InChIKeyMSAKDXVWIBYPRJ-UHFFFAOYSA-N
XLogP3.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-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-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62462542
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63837546
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431329
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63681870
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55074876
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 62431152) is N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CN(Cc1csc(CNC2CC2)n1)Cc1cc(Br)cs1.
What is the InChIKey of N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is MSAKDXVWIBYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S2/c1-18(7-13-4-10(15)8-19-13)6-12-9-20-14(17-12)5-16-11-2-3-11/h4,8-9,11,16H,2-3,5-7H2,1H3.
What are the key properties of N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 372.36 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62431152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).