4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C18H12BrN3OS — CID 3280663

IUPAC4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)cc1
InChIInChI=1S/C18H12BrN3OS/c19-13-6-4-12(5-7-13)15-8-9-16(23-15)14-11-24-18(21-14)22-17-3-1-2-10-20-17/h1-11H,(H,20,21,22)
InChIKeyAVONAMBPCUXYNH-UHFFFAOYSA-N
MW398.29 g/mol
LogP5.97
Rot. Bonds4

About 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 3280663) has the molecular formula C18H12BrN3OS and a molecular weight of 398.29 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID3280663
Molecular FormulaC18H12BrN3OS
Molecular Weight398.29 g/mol
Exact Mass396.99
IUPAC Name4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)cc1
InChIInChI=1S/C18H12BrN3OS/c19-13-6-4-12(5-7-13)15-8-9-16(23-15)14-11-24-18(21-14)22-17-3-1-2-10-20-17/h1-11H,(H,20,21,22)
InChIKeyAVONAMBPCUXYNH-UHFFFAOYSA-N
XLogP5.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-[5-(4-bromophenyl)furan-2-yl]-1,3-thiazol-2-amine
CID 4683115
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-[4-(2,2-dimethylpropylamino)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 122499792
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867228
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 17132316
4-(5-bromofuran-2-yl)-2-(4-bromophenyl)-1,3-thiazole
CID 113437726

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 3280663) is 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is Brc1ccc(-c2ccc(-c3csc(Nc4ccccn4)n3)o2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is AVONAMBPCUXYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3OS/c19-13-6-4-12(5-7-13)15-8-9-16(23-15)14-11-24-18(21-14)22-17-3-1-2-10-20-17/h1-11H,(H,20,21,22).
What are the key properties of 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 398.29 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)furan-2-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 3280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).