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

C16H12Cl2N2OS — CID 5168594

IUPACN-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H12Cl2N2OS/c1-21-15-5-3-2-4-11(15)14-9-22-16(20-14)19-10-6-7-12(17)13(18)8-10/h2-9H,1H3,(H,19,20)
InChIKeyXDGIOQWFZUPZHT-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.87
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 5168594) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID5168594
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H12Cl2N2OS/c1-21-15-5-3-2-4-11(15)14-9-22-16(20-14)19-10-6-7-12(17)13(18)8-10/h2-9H,1H3,(H,19,20)
InChIKeyXDGIOQWFZUPZHT-UHFFFAOYSA-N
XLogP5.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
N-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 70696152
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate
CID 1477046
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
3,4-dichloro-N-[2-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 112821673
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
CID 166379526

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 5168594) is N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is XDGIOQWFZUPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-21-15-5-3-2-4-11(15)14-9-22-16(20-14)19-10-6-7-12(17)13(18)8-10/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 351.26 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 5168594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).