5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine

C20H15BrClN5OS — CID 143729393

IUPAC5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1cc(COc2ccc(Br)cc2-c2nnc(Nc3ccc(Cl)cc3)s2)ccn1
InChIInChI=1S/C20H15BrClN5OS/c21-13-1-6-17(28-11-12-7-8-24-18(23)9-12)16(10-13)19-26-27-20(29-19)25-15-4-2-14(22)3-5-15/h1-10H,11H2,(H2,23,24)(H,25,27)
InChIKeyLURRMEVCXGLFFE-UHFFFAOYSA-N
MW488.80 g/mol
LogP5.92
Rot. Bonds6

About 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine

5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 143729393) has the molecular formula C20H15BrClN5OS and a molecular weight of 488.80 g/mol. Its IUPAC name is 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID143729393
Molecular FormulaC20H15BrClN5OS
Molecular Weight488.80 g/mol
Exact Mass486.99
IUPAC Name5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1cc(COc2ccc(Br)cc2-c2nnc(Nc3ccc(Cl)cc3)s2)ccn1
InChIInChI=1S/C20H15BrClN5OS/c21-13-1-6-17(28-11-12-7-8-24-18(23)9-12)16(10-13)19-26-27-20(29-19)25-15-4-2-14(22)3-5-15/h1-10H,11H2,(H2,23,24)(H,25,27)
InChIKeyLURRMEVCXGLFFE-UHFFFAOYSA-N
XLogP5.92
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]-N-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 143729298
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
5-[2-(2-amino-4-pyridinyl)-3,5-dimethoxyphenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
CID 24962301
6-(5-bromo-2-ethoxyphenyl)-N-(4-chlorophenyl)pyrimidin-4-amine
CID 42606877
4-[(2-chloro-4-fluorophenoxy)methyl]pyridin-2-amine
CID 62465698
4-[(4-bromo-2-fluorophenoxy)methyl]-2-chloropyridine
CID 55069584
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
4-[(2,4-difluorophenoxy)methyl]pyridin-2-amine
CID 62464402
6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
4-[(2-phenylphenoxy)methyl]pyridin-2-amine
CID 62464761
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
4-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464594

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine (CID 143729393) is 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine is Nc1cc(COc2ccc(Br)cc2-c2nnc(Nc3ccc(Cl)cc3)s2)ccn1.
What is the InChIKey of 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LURRMEVCXGLFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN5OS/c21-13-1-6-17(28-11-12-7-8-24-18(23)9-12)16(10-13)19-26-27-20(29-19)25-15-4-2-14(22)3-5-15/h1-10H,11H2,(H2,23,24)(H,25,27).
What are the key properties of 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 488.80 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-amino-4-pyridinyl)methoxy]-5-bromophenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 143729393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).