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

C23H15Br2N5S2 — CID 139227748

IUPAC4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESBrc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(Br)c5)n4)c3)cs2)c1
InChIInChI=1S/C23H15Br2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30)
InChIKeyVSNGAZDTYAKRCT-UHFFFAOYSA-N
MW585.35 g/mol
LogP8.34
Rot. Bonds6

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

4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 139227748) has the molecular formula C23H15Br2N5S2 and a molecular weight of 585.35 g/mol. Its IUPAC name is 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine
PubChem CID139227748
Molecular FormulaC23H15Br2N5S2
Molecular Weight585.35 g/mol
Exact Mass582.91
IUPAC Name4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine
SMILESBrc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(Br)c5)n4)c3)cs2)c1
InChIInChI=1S/C23H15Br2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30)
InChIKeyVSNGAZDTYAKRCT-UHFFFAOYSA-N
XLogP8.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.35
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Stf-62247
CID 704473
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
N-(4-bromophenyl)-4-(3-pyridyl)thiazol-2-amine
CID 746617
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
N-(3-bromophenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 2213820
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
N-(4-Methylphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 704482
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601
N-(4-(pyridin-3-yl)thiazol-2-yl)pyridin-2-amine
CID 704624
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646
(4-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 2877172

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine (CID 139227748) is 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine is Brc1cccc(Nc2nc(-c3cncc(-c4csc(Nc5cccc(Br)c5)n4)c3)cs2)c1.
What is the InChIKey of 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is VSNGAZDTYAKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2N5S2/c24-16-3-1-5-18(8-16)27-22-29-20(12-31-22)14-7-15(11-26-10-14)21-13-32-23(30-21)28-19-6-2-4-17(25)9-19/h1-13H,(H,27,29)(H,28,30).
What are the key properties of 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine?
4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 585.35 g/mol, XLogP of 8.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-bromoanilino)-1,3-thiazol-4-yl]-3-pyridinyl]-N-(3-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139227748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).