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

C15H17BrN2S2 — CID 102843080

IUPACN-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1sc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Br
InChIInChI=1S/C15H17BrN2S2/c1-8-10(16)7-13(19-8)14(17-9-5-6-9)15-18-11-3-2-4-12(11)20-15/h7,9,14,17H,2-6H2,1H3
InChIKeyGAXMVLIUDJTRQY-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.61
Rot. Bonds4

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

N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 102843080) has the molecular formula C15H17BrN2S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
PubChem CID102843080
Molecular FormulaC15H17BrN2S2
Molecular Weight369.35 g/mol
Exact Mass368.00
IUPAC NameN-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
SMILESCc1sc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Br
InChIInChI=1S/C15H17BrN2S2/c1-8-10(16)7-13(19-8)14(17-9-5-6-9)15-18-11-3-2-4-12(11)20-15/h7,9,14,17H,2-6H2,1H3
InChIKeyGAXMVLIUDJTRQY-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][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

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine (CID 102843080) is N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is Cc1sc(C(NC2CC2)c2nc3c(s2)CCC3)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is GAXMVLIUDJTRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S2/c1-8-10(16)7-13(19-8)14(17-9-5-6-9)15-18-11-3-2-4-12(11)20-15/h7,9,14,17H,2-6H2,1H3.
What are the key properties of N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine?
N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 369.35 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102843080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).