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

C15H17BrN2S — CID 61332383

IUPACN-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17BrN2S/c1-2-17-14(10-6-8-11(16)9-7-10)15-18-12-4-3-5-13(12)19-15/h6-9,14,17H,2-5H2,1H3
InChIKeyBJODMLHMWIVTJQ-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.09
Rot. Bonds4

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

N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine (PubChem CID 61332383) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
PubChem CID61332383
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC NameN-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H17BrN2S/c1-2-17-14(10-6-8-11(16)9-7-10)15-18-12-4-3-5-13(12)19-15/h6-9,14,17H,2-5H2,1H3
InChIKeyBJODMLHMWIVTJQ-UHFFFAOYSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine (CID 61332383) is N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
The InChIKey is BJODMLHMWIVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-2-17-14(10-6-8-11(16)9-7-10)15-18-12-4-3-5-13(12)19-15/h6-9,14,17H,2-5H2,1H3.
What are the key properties of N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61332383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).