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

C22H16Cl2N2OS — CID 58791226

IUPAC4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccc(OCc4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C22H16Cl2N2OS/c23-19-10-9-16(11-20(19)24)21-14-28-22(26-21)25-17-7-4-8-18(12-17)27-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,25,26)
InChIKeyDJWACNNBCIPEHC-UHFFFAOYSA-N
MW427.36 g/mol
LogP7.44
Rot. Bonds6

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

4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58791226) has the molecular formula C22H16Cl2N2OS and a molecular weight of 427.36 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58791226
Molecular FormulaC22H16Cl2N2OS
Molecular Weight427.36 g/mol
Exact Mass426.04
IUPAC Name4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccc(OCc4ccccc4)c3)n2)cc1Cl
InChIInChI=1S/C22H16Cl2N2OS/c23-19-10-9-16(11-20(19)24)21-14-28-22(26-21)25-17-7-4-8-18(12-17)27-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,25,26)
InChIKeyDJWACNNBCIPEHC-UHFFFAOYSA-N
XLogP7.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.36
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 58791675
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
methyl 3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 84565454
4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194872
4-(4-fluorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791434
4-(2-anilino-1,3-thiazol-4-yl)-N-[(Z)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126044571
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] (E)-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 110492773
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] 4-phenylmethoxybenzoate
CID 110492775
4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 126070329
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine (CID 58791226) is 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3cccc(OCc4ccccc4)c3)n2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DJWACNNBCIPEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2OS/c23-19-10-9-16(11-20(19)24)21-14-28-22(26-21)25-17-7-4-8-18(12-17)27-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,25,26).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine?
4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 427.36 g/mol, XLogP of 7.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(3-phenylmethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).