N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

C16H14BrN3S — CID 115959886

IUPACN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccc(C(NC2CC2)c2nccs2)c2ncccc12
InChIInChI=1S/C16H14BrN3S/c17-13-6-5-12(14-11(13)2-1-7-18-14)15(20-10-3-4-10)16-19-8-9-21-16/h1-2,5-10,15,20H,3-4H2
InChIKeyYHNZNWKACQNXHO-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.30
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 115959886) has the molecular formula C16H14BrN3S and a molecular weight of 360.28 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID115959886
Molecular FormulaC16H14BrN3S
Molecular Weight360.28 g/mol
Exact Mass359.01
IUPAC NameN-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccc(C(NC2CC2)c2nccs2)c2ncccc12
InChIInChI=1S/C16H14BrN3S/c17-13-6-5-12(14-11(13)2-1-7-18-14)15(20-10-3-4-10)16-19-8-9-21-16/h1-2,5-10,15,20H,3-4H2
InChIKeyYHNZNWKACQNXHO-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 115959886) is N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is Brc1ccc(C(NC2CC2)c2nccs2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is YHNZNWKACQNXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3S/c17-13-6-5-12(14-11(13)2-1-7-18-14)15(20-10-3-4-10)16-19-8-9-21-16/h1-2,5-10,15,20H,3-4H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 360.28 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 115959886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).