N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine

C16H17BrN2S — CID 61335859

IUPACN-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccccc1C(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H17BrN2S/c17-12-5-2-1-4-11(12)15(18-10-8-9-10)16-19-13-6-3-7-14(13)20-16/h1-2,4-5,10,15,18H,3,6-9H2
InChIKeyQIKXQESVUUPVDY-UHFFFAOYSA-N
MW349.30 g/mol
LogP4.24
Rot. Bonds4

About N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine

N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61335859) has the molecular formula C16H17BrN2S and a molecular weight of 349.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61335859
Molecular FormulaC16H17BrN2S
Molecular Weight349.30 g/mol
Exact Mass348.03
IUPAC NameN-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccccc1C(NC1CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C16H17BrN2S/c17-12-5-2-1-4-11(12)15(18-10-8-9-10)16-19-13-6-3-7-14(13)20-16/h1-2,4-5,10,15,18H,3,6-9H2
InChIKeyQIKXQESVUUPVDY-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (CID 61335859) is N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is Brc1ccccc1C(NC1CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is QIKXQESVUUPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2S/c17-12-5-2-1-4-11(12)15(18-10-8-9-10)16-19-13-6-3-7-14(13)20-16/h1-2,4-5,10,15,18H,3,6-9H2.
What are the key properties of N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 349.30 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61335859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).