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

C13H15BrN2S2 — CID 102842885

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H15BrN2S2/c1-7-8(14)6-11(17-7)12(15-2)13-16-9-4-3-5-10(9)18-13/h6,12,15H,3-5H2,1-2H3
InChIKeyJRKNWWIVQIDYBG-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.07
Rot. Bonds3

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

1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (PubChem CID 102842885) has the molecular formula C13H15BrN2S2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
PubChem CID102842885
Molecular FormulaC13H15BrN2S2
Molecular Weight343.32 g/mol
Exact Mass341.99
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(C)s1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H15BrN2S2/c1-7-8(14)6-11(17-7)12(15-2)13-16-9-4-3-5-10(9)18-13/h6,12,15H,3-5H2,1-2H3
InChIKeyJRKNWWIVQIDYBG-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-5-methylthiophen-2-yl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]cyclopropanamine
CID 102843080
1-(4-bromo-3-methylphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 66478811
1-(7-bromo-1,3-benzodioxol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 61331765
1-(3,5-difluorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 106531764
1-[4-(difluoromethyl)phenyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 115524807
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 61332350
1-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 62700182
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4-dimethylphenyl)methyl]propan-2-amine
CID 61333469
N-[(3-bromophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]propan-2-amine
CID 61335434
1-(2,3-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 63667588
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine (CID 102842885) is 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is CNC(c1cc(Br)c(C)s1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
The InChIKey is JRKNWWIVQIDYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S2/c1-7-8(14)6-11(17-7)12(15-2)13-16-9-4-3-5-10(9)18-13/h6,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine has a molecular weight of 343.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102842885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).