4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

C17H14Cl2N2S — CID 2470553

IUPAC4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NCCc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2S/c18-13-6-7-14(15(19)10-13)16-11-22-17(21-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,21)
InChIKeyZRVRTYXSNQHFKC-UHFFFAOYSA-N
MW349.29 g/mol
LogP5.77
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 2470553) has the molecular formula C17H14Cl2N2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID2470553
Molecular FormulaC17H14Cl2N2S
Molecular Weight349.29 g/mol
Exact Mass348.03
IUPAC Name4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NCCc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2S/c18-13-6-7-14(15(19)10-13)16-11-22-17(21-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,21)
InChIKeyZRVRTYXSNQHFKC-UHFFFAOYSA-N
XLogP5.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
2-benzylsulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23998455
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 44534548
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203686
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 2470553) is 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NCCc3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is ZRVRTYXSNQHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2S/c18-13-6-7-14(15(19)10-13)16-11-22-17(21-16)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,21).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 349.29 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2470553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).