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

C16H18Cl2N2S — CID 61336237

IUPACN-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C16H18Cl2N2S/c1-3-14-9(2)21-16(20-14)15(19-11-5-6-11)12-7-4-10(17)8-13(12)18/h4,7-8,11,15,19H,3,5-6H2,1-2H3
InChIKeyVUQCZMXJJNULCG-UHFFFAOYSA-N
MW341.31 g/mol
LogP5.16
Rot. Bonds5

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

N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61336237) has the molecular formula C16H18Cl2N2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61336237
Molecular FormulaC16H18Cl2N2S
Molecular Weight341.31 g/mol
Exact Mass340.06
IUPAC NameN-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C16H18Cl2N2S/c1-3-14-9(2)21-16(20-14)15(19-11-5-6-11)12-7-4-10(17)8-13(12)18/h4,7-8,11,15,19H,3,5-6H2,1-2H3
InChIKeyVUQCZMXJJNULCG-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.31
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83092056
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66133913
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]cyclopropanamine
CID 103572514
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 61333888
N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335065
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106818049
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[1-(2,4-dichlorophenyl)propyl]-4-methylcyclohexan-1-amine
CID 43503316

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 61336237) is N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is CCc1nc(C(NC2CC2)c2ccc(Cl)cc2Cl)sc1C.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is VUQCZMXJJNULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2S/c1-3-14-9(2)21-16(20-14)15(19-11-5-6-11)12-7-4-10(17)8-13(12)18/h4,7-8,11,15,19H,3,5-6H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 341.31 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61336237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).