N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine

C16H19BrN2S — CID 62514412

IUPACN-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
SMILESBrc1ccccc1CC(CNC1CC1)Cc1cscn1
InChIInChI=1S/C16H19BrN2S/c17-16-4-2-1-3-13(16)7-12(9-18-14-5-6-14)8-15-10-20-11-19-15/h1-4,10-12,14,18H,5-9H2
InChIKeyBHYAYUXAFYAGJQ-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.06
Rot. Bonds7

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

N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine (PubChem CID 62514412) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
PubChem CID62514412
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC NameN-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
SMILESBrc1ccccc1CC(CNC1CC1)Cc1cscn1
InChIInChI=1S/C16H19BrN2S/c17-16-4-2-1-3-13(16)7-12(9-18-14-5-6-14)8-15-10-20-11-19-15/h1-4,10-12,14,18H,5-9H2
InChIKeyBHYAYUXAFYAGJQ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-bromophenyl)methyl]-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053062
N-[2-[(2-bromophenyl)methyl]heptyl]cyclopropanamine
CID 55220297
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
N-[2-[(2-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 115979389
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
N-[[5-[(2-bromophenyl)methoxy]-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 82831997
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine (CID 62514412) is N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine is Brc1ccccc1CC(CNC1CC1)Cc1cscn1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine?
The InChIKey is BHYAYUXAFYAGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c17-16-4-2-1-3-13(16)7-12(9-18-14-5-6-14)8-15-10-20-11-19-15/h1-4,10-12,14,18H,5-9H2.
What are the key properties of N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine?
N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine has a molecular weight of 351.31 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl]-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62514412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).