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

C16H18Cl2N2S — CID 104841868

IUPACN-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(Cc2ccc(Cl)c(Cl)c2)sc1CNC1CC1
InChIInChI=1S/C16H18Cl2N2S/c1-2-14-15(9-19-11-4-5-11)21-16(20-14)8-10-3-6-12(17)13(18)7-10/h3,6-7,11,19H,2,4-5,8-9H2,1H3
InChIKeyZZGPFJYFGCYPMN-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.86
Rot. Bonds6

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

N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 104841868) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID104841868
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCc1nc(Cc2ccc(Cl)c(Cl)c2)sc1CNC1CC1
InChIInChI=1S/C16H18Cl2N2S/c1-2-14-15(9-19-11-4-5-11)21-16(20-14)8-10-3-6-12(17)13(18)7-10/h3,6-7,11,19H,2,4-5,8-9H2,1H3
InChIKeyZZGPFJYFGCYPMN-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841788
N-[(2-benzyl-4-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82431466
N-[[2-[(2-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841820
N-[[4-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841888
N-[[4-ethyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430235
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N-[[4-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82429046
N-[[4-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430617
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802
N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633
N-[[2-[(3,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]cyclopropanamine
CID 62757509
N-[[2-[(3-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365521

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 104841868) is N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCc1nc(Cc2ccc(Cl)c(Cl)c2)sc1CNC1CC1.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is ZZGPFJYFGCYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c1-2-14-15(9-19-11-4-5-11)21-16(20-14)8-10-3-6-12(17)13(18)7-10/h3,6-7,11,19H,2,4-5,8-9H2,1H3.
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 341.31 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104841868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).