N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C16H12Cl2N2OS — CID 53338572

IUPACN-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C16H12Cl2N2OS/c1-21-14-4-2-10(3-5-14)15-9-22-16(20-15)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20)
InChIKeyHAWJZYIOJLOVKC-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.87
Rot. Bonds4

About N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53338572) has the molecular formula C16H12Cl2N2OS and a molecular weight of 351.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53338572
Molecular FormulaC16H12Cl2N2OS
Molecular Weight351.26 g/mol
Exact Mass350.00
IUPAC NameN-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C16H12Cl2N2OS/c1-21-14-4-2-10(3-5-14)15-9-22-16(20-15)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20)
InChIKeyHAWJZYIOJLOVKC-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 53338572) is N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is HAWJZYIOJLOVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2OS/c1-21-14-4-2-10(3-5-14)15-9-22-16(20-15)19-13-7-11(17)6-12(18)8-13/h2-9H,1H3,(H,19,20).
What are the key properties of N-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4-(4-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-(3,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53338572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).