N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H22Cl2N2S — CID 107153826

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C16H22Cl2N2S/c1-16(2,3)9-13-10-20-15(21-13)19-7-6-11-4-5-12(17)8-14(11)18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyNGFQHEGXTYCZOA-UHFFFAOYSA-N
MW345.34 g/mol
LogP5.03
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153826) has the molecular formula C16H22Cl2N2S and a molecular weight of 345.34 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153826
Molecular FormulaC16H22Cl2N2S
Molecular Weight345.34 g/mol
Exact Mass344.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NCCc2ccc(Cl)cc2Cl)S1
InChIInChI=1S/C16H22Cl2N2S/c1-16(2,3)9-13-10-20-15(21-13)19-7-6-11-4-5-12(17)8-14(11)18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,20)
InChIKeyNGFQHEGXTYCZOA-UHFFFAOYSA-N
XLogP5.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.34
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154351
5-(2,2-dimethylpropyl)-N-(3-methylsulfanylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154426
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909268
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154847
5-(2,2-dimethylpropyl)-N-[1-(4-methylphenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154151
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154854
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 63422466

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153826) is N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NCCc2ccc(Cl)cc2Cl)S1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NGFQHEGXTYCZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2S/c1-16(2,3)9-13-10-20-15(21-13)19-7-6-11-4-5-12(17)8-14(11)18/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 345.34 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).