1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine

C14H16Cl2N2S — CID 112642799

IUPAC1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-2-18-12(7-13-8-17-9-19-13)5-10-3-4-11(15)6-14(10)16/h3-4,6,8-9,12,18H,2,5,7H2,1H3
InChIKeyMKXSQIFVYINKPH-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.21
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642799) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642799
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCNC(Cc1cncs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-2-18-12(7-13-8-17-9-19-13)5-10-3-4-11(15)6-14(10)16/h3-4,6,8-9,12,18H,2,5,7H2,1H3
InChIKeyMKXSQIFVYINKPH-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642484
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2,4-dichlorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 63413199
N-ethyl-4-methyl-1-(1,3-thiazol-5-yl)hexan-2-amine
CID 105030464
1-(2,4-dichlorophenyl)-5-ethoxy-N-ethylpentan-2-amine
CID 105132456
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
methyl 4-(2,4-dichlorophenyl)-3-(ethylamino)butanoate
CID 82351330
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(1,3-thiazol-5-yl)ethanamine
CID 106868592
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642799) is 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCNC(Cc1cncs1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is MKXSQIFVYINKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-2-18-12(7-13-8-17-9-19-13)5-10-3-4-11(15)6-14(10)16/h3-4,6,8-9,12,18H,2,5,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 315.27 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).