N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine

C18H13Cl2N3O2S2 — CID 43968916

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(Nc3nc(-c4cc(Cl)ccc4Cl)cs3)sc2cc1OC
InChIInChI=1S/C18H13Cl2N3O2S2/c1-24-14-6-12-16(7-15(14)25-2)27-18(21-12)23-17-22-13(8-26-17)10-5-9(19)3-4-11(10)20/h3-8H,1-2H3,(H,21,22,23)
InChIKeyVAIQHALZNKLZFY-UHFFFAOYSA-N
MW438.36 g/mol
LogP6.49
Rot. Bonds5

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine (PubChem CID 43968916) has the molecular formula C18H13Cl2N3O2S2 and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
PubChem CID43968916
Molecular FormulaC18H13Cl2N3O2S2
Molecular Weight438.36 g/mol
Exact Mass436.98
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(Nc3nc(-c4cc(Cl)ccc4Cl)cs3)sc2cc1OC
InChIInChI=1S/C18H13Cl2N3O2S2/c1-24-14-6-12-16(7-15(14)25-2)27-18(21-12)23-17-22-13(8-26-17)10-5-9(19)3-4-11(10)20/h3-8H,1-2H3,(H,21,22,23)
InChIKeyVAIQHALZNKLZFY-UHFFFAOYSA-N
XLogP6.49
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 8544319
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methoxy-1,3-benzothiazol-2-amine
CID 7513120
N-(4-chloro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513006
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4181945
[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174065
N-tert-butyl-4-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 2507086
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496015
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513182
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine (CID 43968916) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine is COc1cc2nc(Nc3nc(-c4cc(Cl)ccc4Cl)cs3)sc2cc1OC.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The InChIKey is VAIQHALZNKLZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2S2/c1-24-14-6-12-16(7-15(14)25-2)27-18(21-12)23-17-22-13(8-26-17)10-5-9(19)3-4-11(10)20/h3-8H,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine has a molecular weight of 438.36 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).