N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

C15H17BrN2S — CID 107915395

IUPACN-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nc(C)c(CNC3CC3)s2)cc1Br
InChIInChI=1S/C15H17BrN2S/c1-9-3-4-11(7-13(9)16)15-18-10(2)14(19-15)8-17-12-5-6-12/h3-4,7,12,17H,5-6,8H2,1-2H3
InChIKeyDJBYOAHUKVQOHT-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.44
Rot. Bonds4

About N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 107915395) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID107915395
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC NameN-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccc(-c2nc(C)c(CNC3CC3)s2)cc1Br
InChIInChI=1S/C15H17BrN2S/c1-9-3-4-11(7-13(9)16)15-18-10(2)14(19-15)8-17-12-5-6-12/h3-4,7,12,17H,5-6,8H2,1-2H3
InChIKeyDJBYOAHUKVQOHT-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromo-4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915459
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
CID 114016134
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
1-[2-(3-bromo-4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107915426
N-[[4-methyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55070876
N-[[4-methyl-2-(2-methylfuran-3-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104790778
N-[[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82800759

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 107915395) is N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1ccc(-c2nc(C)c(CNC3CC3)s2)cc1Br.
What is the InChIKey of N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DJBYOAHUKVQOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-9-3-4-11(7-13(9)16)15-18-10(2)14(19-15)8-17-12-5-6-12/h3-4,7,12,17H,5-6,8H2,1-2H3.
What are the key properties of N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 337.29 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107915395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).